{ "summary": "Row-level audit of the OCx25 release (6707 experiment rows, 560 tested samples, 291 target compositions in 57 element systems). The core measurements are internally consistent: every published avg row equals its replicate mean, voltages are in plausible ranges, and no gas FE is negative. Replicate reproducibility is good (median within-target SD: HER V@50 0.045 V; FE_CO@100 2.16 pts). Data errors that need fixing are: three reused sample ids, one sample labelled Zn that is about 95% Cu by XRF and behaves like Cu, a failed replicate averaged into its published mean, gas FE totals above 100% handled with two conventions, and fe_liquid being a computed balance rather than a measurement. The XRF formula strings, and therefore the dashboard composition, are renormalised over target elements and hide non-target signal; the dashboard also mixes GDE, wafer, sibling and target compositions silently. Batch and source effects beyond composition are present in several systems. Composition-space outliers are mostly replicated and look like chemistry. Limitations: the ocx25-data Skill (prepare_targets.py, reference.md, review.md) could not be read from this client, so 3.3 V quantities are a non-canonical re-implementation and the comparison with the paper's noise floors is not made. Credit: OCx24/OCx25 paper, dataset and full author team.", "counts": { "rows": 6707, "samples": 560, "target_compositions": 291, "element_systems": 57, "samples_without_xrf": 161 }, "replicate_reproducibility": [ { "source": "vsp", "reaction": "HER", "quantity": "her_voltage_50", "n_groups": 53, "median_sd": 0.043589, "notes": "HER full-cell voltage at 50 mA/cm2 [V]. Overall: median SD across 53 (source, target) groups with >=2 replicates (IQR 0.03-0.0707; median group mean 2.88). Within batch: 48 groups, median SD 0.0404. Median SD by batch: b2=0.0554; b3=0.0606; b4=0.0475; b5=0.038; b8=0.0925; b10=0.0321; b11=0.106; b13=0.0428; b14=0.0354; b15=0.0954; b20=0.0379; b23=0.0246; b26=0.0321; b27=0.0721; b28=0.0276; b29=0.0354; b30=0.0122; b33=0.0285." }, { "source": "uoft", "reaction": "HER", "quantity": "her_voltage_50", "n_groups": 87, "median_sd": 0.045826, "notes": "HER full-cell voltage at 50 mA/cm2 [V]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 0.0297-0.0781; median group mean 2.71). Within batch: 87 groups, median SD 0.0458. Median SD by batch: b4=0.0451; b5=0.066; b6=0.0458; b7=0.0551; b8=0.0436; b9=0.0451; b10=0.0495." }, { "source": "all", "reaction": "HER", "quantity": "her_voltage_50", "n_groups": 140, "median_sd": 0.045459, "notes": "HER full-cell voltage at 50 mA/cm2 [V]. Overall: median SD across 140 (source, target) groups with >=2 replicates (IQR 0.03-0.0752; median group mean 2.76). Within batch: 135 groups, median SD 0.0451. Median SD by batch: b2=0.0554; b3=0.0606; b4=0.0451; b5=0.0611; b6=0.0458; b7=0.0551; b8=0.0436; b9=0.0451; b10=0.0408; b11=0.106; b13=0.0428; b14=0.0354; b15=0.0954; b20=0.0379; b23=0.0246; b26=0.0321; b27=0.0721; b28=0.0276; b29=0.0354; b30=0.0122; b33=0.0285." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "voltage@50", "n_groups": 51, "median_sd": 0.045092, "notes": "voltage at 50 mA/cm2 [V]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 0.021-0.0633; median group mean 2.9). Within batch: 46 groups, median SD 0.0395. Median SD by batch: b2=0.0533; b3=0.0384; b4=0.0248; b5=0.0522; b8=0.0581; b10=0.07; b11=0.106; b13=0.0495; b14=0.02; b15=0.0614; b20=0.0335; b23=0.0246; b26=0.0416; b27=0.0569; b28=0.0875; b29=0.0306; b30=0.0371." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "voltage@50", "n_groups": 87, "median_sd": 0.046188, "notes": "voltage at 50 mA/cm2 [V]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 0.0294-0.0707; median group mean 3). Within batch: 87 groups, median SD 0.0462. Median SD by batch: b4=0.0611; b5=0.0778; b6=0.0212; b7=0.0451; b8=0.0404; b9=0.0321; b10=0.0707." }, { "source": "all", "reaction": "CO2RR", "quantity": "voltage@50", "n_groups": 138, "median_sd": 0.046007, "notes": "voltage at 50 mA/cm2 [V]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 0.0255-0.0702; median group mean 2.97). Within batch: 133 groups, median SD 0.0451. Median SD by batch: b2=0.0533; b3=0.0384; b4=0.0467; b5=0.0778; b6=0.0212; b7=0.0451; b8=0.0404; b9=0.0321; b10=0.0704; b11=0.106; b13=0.0495; b14=0.02; b15=0.0614; b20=0.0335; b23=0.0246; b26=0.0416; b27=0.0569; b28=0.0875; b29=0.0306; b30=0.0371." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "fe_h2@50", "n_groups": 51, "median_sd": 4.336537, "notes": "fe_h2 at 50 mA/cm2 [%]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 2.21-6.99; median group mean 56.8). Within batch: 46 groups, median SD 4.34. Median SD by batch: b2=2.23; b3=9.78; b4=3.7; b5=6.63; b8=13.7; b10=3.45; b11=1.05; b13=6.33; b14=3.02; b15=3.82; b20=4.22; b23=11.3; b26=1.22; b27=4.66; b28=12.5; b29=2.26; b30=1.83." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "fe_h2@50", "n_groups": 87, "median_sd": 3.89532, "notes": "fe_h2 at 50 mA/cm2 [%]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 2.1-6.48; median group mean 56.7). Within batch: 87 groups, median SD 3.9. Median SD by batch: b4=3.65; b5=2.31; b6=5.07; b7=3.64; b8=4.49; b9=5.21; b10=6.95." }, { "source": "all", "reaction": "CO2RR", "quantity": "fe_h2@50", "n_groups": 138, "median_sd": 4.188258, "notes": "fe_h2 at 50 mA/cm2 [%]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 2.17-6.59; median group mean 56.8). Within batch: 133 groups, median SD 4.1. Median SD by batch: b2=2.23; b3=9.78; b4=3.65; b5=2.47; b6=5.07; b7=3.64; b8=5.28; b9=5.21; b10=5.2; b11=1.05; b13=6.33; b14=3.02; b15=3.82; b20=4.22; b23=11.3; b26=1.22; b27=4.66; b28=12.5; b29=2.26; b30=1.83." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "fe_co@50", "n_groups": 51, "median_sd": 3.448708, "notes": "fe_co at 50 mA/cm2 [%]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 1.65-6.83; median group mean 21.7). Within batch: 46 groups, median SD 3.41. Median SD by batch: b2=2.57; b3=10.1; b4=0.516; b5=5.2; b8=13.8; b10=1.53; b11=3.66; b13=6.66; b14=2.26; b15=4.52; b20=5.68; b23=3.62; b26=1.27; b27=2.83; b28=7.81; b29=8.23; b30=0." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "fe_co@50", "n_groups": 87, "median_sd": 2.054484, "notes": "fe_co at 50 mA/cm2 [%]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 0.993-6.02; median group mean 25). Within batch: 87 groups, median SD 2.05. Median SD by batch: b4=2.96; b5=0.475; b6=2.05; b7=3.19; b8=2.28; b9=1.12; b10=0." }, { "source": "all", "reaction": "CO2RR", "quantity": "fe_co@50", "n_groups": 138, "median_sd": 2.456032, "notes": "fe_co at 50 mA/cm2 [%]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 1.09-6.51; median group mean 23). Within batch: 133 groups, median SD 2.38. Median SD by batch: b2=2.57; b3=10.1; b4=2.3; b5=1.12; b6=2.05; b7=3.19; b8=4.8; b9=1.12; b10=0.765; b11=3.66; b13=6.66; b14=2.26; b15=4.52; b20=5.68; b23=3.62; b26=1.27; b27=2.83; b28=7.81; b29=8.23; b30=0." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "fe_c2h4@50", "n_groups": 51, "median_sd": 0.0, "notes": "fe_c2h4 at 50 mA/cm2 [%]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 0-0.00243; median group mean 0). Within batch: 46 groups, median SD 0. Median SD by batch: b2=0; b3=0; b4=0.00122; b5=0; b8=0; b10=0; b11=0.0113; b13=0; b14=0; b15=0; b20=0.00446; b23=0.000894; b26=0; b27=0; b28=0.00235; b29=0; b30=0.00379." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "fe_c2h4@50", "n_groups": 87, "median_sd": 0.000843, "notes": "fe_c2h4 at 50 mA/cm2 [%]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 0-0.0036; median group mean 0.00281). Within batch: 87 groups, median SD 0.000843. Median SD by batch: b4=0.00146; b5=0.000421; b6=0.00146; b7=0; b8=0.00179; b9=0; b10=0." }, { "source": "all", "reaction": "CO2RR", "quantity": "fe_c2h4@50", "n_groups": 138, "median_sd": 0.0, "notes": "fe_c2h4 at 50 mA/cm2 [%]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 0-0.00296; median group mean 0). Within batch: 133 groups, median SD 0. Median SD by batch: b2=0; b3=0; b4=0.00146; b5=0; b6=0.00146; b7=0; b8=0.00146; b9=0; b10=0; b11=0.0113; b13=0; b14=0; b15=0; b20=0.00446; b23=0.000894; b26=0; b27=0; b28=0.00235; b29=0; b30=0.00379." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "fe_gas_total@50", "n_groups": 51, "median_sd": 3.102546, "notes": "fe_gas_total at 50 mA/cm2 [%]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 1.74-5.92; median group mean 83.2). Within batch: 46 groups, median SD 2.79. Median SD by batch: b2=1.13; b3=5.27; b4=3.02; b5=2.04; b8=1.17; b10=2.6; b11=4.73; b13=6.37; b14=1.57; b15=4.36; b20=1.77; b23=13.6; b26=1.69; b27=4.66; b28=6.63; b29=2.56; b30=1.85." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "fe_gas_total@50", "n_groups": 87, "median_sd": 3.262619, "notes": "fe_gas_total at 50 mA/cm2 [%]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 1.93-6.39; median group mean 84.4). Within batch: 87 groups, median SD 3.26. Median SD by batch: b4=3.15; b5=1.83; b6=3.32; b7=7.43; b8=3.88; b9=2.96; b10=6.95." }, { "source": "all", "reaction": "CO2RR", "quantity": "fe_gas_total@50", "n_groups": 138, "median_sd": 3.214935, "notes": "fe_gas_total at 50 mA/cm2 [%]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 1.77-6.35; median group mean 83.9). Within batch: 133 groups, median SD 3.17. Median SD by batch: b2=1.13; b3=5.27; b4=3.14; b5=1.83; b6=3.32; b7=7.43; b8=3.25; b9=2.96; b10=4.78; b11=4.73; b13=6.37; b14=1.57; b15=4.36; b20=1.77; b23=13.6; b26=1.69; b27=4.66; b28=6.63; b29=2.56; b30=1.85." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "rate_h2@50", "n_groups": 51, "median_sd": 40.450532, "notes": "rate_h2 at 50 mA/cm2 [umol/h/cm2]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 20.6-65.2; median group mean 530). Within batch: 46 groups, median SD 40.5. Median SD by batch: b2=20.8; b3=91.2; b4=34.5; b5=61.8; b8=128; b10=32.2; b11=9.8; b13=59.1; b14=28.2; b15=35.7; b20=39.4; b23=106; b26=11.3; b27=43.5; b28=117; b29=21.1; b30=17.1." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "rate_h2@50", "n_groups": 87, "median_sd": 36.334929, "notes": "rate_h2 at 50 mA/cm2 [umol/h/cm2]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 19.6-60.4; median group mean 529). Within batch: 87 groups, median SD 36.3. Median SD by batch: b4=34; b5=21.6; b6=47.3; b7=34; b8=41.9; b9=48.6; b10=64.8." }, { "source": "all", "reaction": "CO2RR", "quantity": "rate_h2@50", "n_groups": 138, "median_sd": 39.067414, "notes": "rate_h2 at 50 mA/cm2 [umol/h/cm2]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 20.2-61.5; median group mean 530). Within batch: 133 groups, median SD 38.2. Median SD by batch: b2=20.8; b3=91.2; b4=34; b5=23; b6=47.3; b7=34; b8=49.3; b9=48.6; b10=48.5; b11=9.8; b13=59.1; b14=28.2; b15=35.7; b20=39.4; b23=106; b26=11.3; b27=43.5; b28=117; b29=21.1; b30=17.1." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "rate_co@50", "n_groups": 51, "median_sd": 32.16901, "notes": "rate_co at 50 mA/cm2 [umol/h/cm2]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 15.4-63.7; median group mean 203). Within batch: 46 groups, median SD 31.8. Median SD by batch: b2=24; b3=94.5; b4=4.82; b5=48.5; b8=128; b10=14.3; b11=34.1; b13=62.2; b14=21.1; b15=42.2; b20=53; b23=33.7; b26=11.8; b27=26.4; b28=72.8; b29=76.7; b30=0." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "rate_co@50", "n_groups": 87, "median_sd": 19.163904, "notes": "rate_co at 50 mA/cm2 [umol/h/cm2]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 9.26-56.1; median group mean 233). Within batch: 87 groups, median SD 19.2. Median SD by batch: b4=27.6; b5=4.43; b6=19.2; b7=29.8; b8=21.3; b9=10.4; b10=0." }, { "source": "all", "reaction": "CO2RR", "quantity": "rate_co@50", "n_groups": 138, "median_sd": 22.909483, "notes": "rate_co at 50 mA/cm2 [umol/h/cm2]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 10.2-60.8; median group mean 214). Within batch: 133 groups, median SD 22.2. Median SD by batch: b2=24; b3=94.5; b4=21.4; b5=10.5; b6=19.2; b7=29.8; b8=44.8; b9=10.4; b10=7.14; b11=34.1; b13=62.2; b14=21.1; b15=42.2; b20=53; b23=33.7; b26=11.8; b27=26.4; b28=72.8; b29=76.7; b30=0." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "rate_c2h4@50", "n_groups": 51, "median_sd": 0.0, "notes": "rate_c2h4 at 50 mA/cm2 [umol/h/cm2]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 0-0.00378; median group mean 0). Within batch: 46 groups, median SD 0. Median SD by batch: b2=0; b3=0; b4=0.00189; b5=0; b8=0; b10=0; b11=0.0176; b13=0; b14=0; b15=0; b20=0.00694; b23=0.00139; b26=0; b27=0; b28=0.00365; b29=0; b30=0.00589." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "rate_c2h4@50", "n_groups": 87, "median_sd": 0.00131, "notes": "rate_c2h4 at 50 mA/cm2 [umol/h/cm2]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 0-0.0056; median group mean 0.00437). Within batch: 87 groups, median SD 0.00131. Median SD by batch: b4=0.00227; b5=0.000655; b6=0.00227; b7=0; b8=0.00278; b9=0; b10=0." }, { "source": "all", "reaction": "CO2RR", "quantity": "rate_c2h4@50", "n_groups": 138, "median_sd": 0.0, "notes": "rate_c2h4 at 50 mA/cm2 [umol/h/cm2]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 0-0.0046; median group mean 0). Within batch: 133 groups, median SD 0. Median SD by batch: b2=0; b3=0; b4=0.00227; b5=0; b6=0.00227; b7=0; b8=0.00227; b9=0; b10=0; b11=0.0176; b13=0; b14=0; b15=0; b20=0.00694; b23=0.00139; b26=0; b27=0; b28=0.00365; b29=0; b30=0.00589." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "voltage@100", "n_groups": 51, "median_sd": 0.049458, "notes": "voltage at 100 mA/cm2 [V]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 0.0283-0.0759; median group mean 3.25). Within batch: 46 groups, median SD 0.0478. Median SD by batch: b2=0.0388; b3=0.0126; b4=0.0239; b5=0.0742; b8=0.0794; b10=0.0529; b11=0.099; b13=0.0636; b14=0.0265; b15=0.0578; b20=0.0369; b23=0.0241; b26=0.0351; b27=0.0611; b28=0.0834; b29=0.0603; b30=0.0628." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "voltage@100", "n_groups": 87, "median_sd": 0.06364, "notes": "voltage at 100 mA/cm2 [V]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 0.0404-0.0898; median group mean 3.3). Within batch: 87 groups, median SD 0.0636. Median SD by batch: b4=0.0816; b5=0.08; b6=0.0424; b7=0.05; b8=0.0557; b9=0.0351; b10=0.0141." }, { "source": "all", "reaction": "CO2RR", "quantity": "voltage@100", "n_groups": 138, "median_sd": 0.057735, "notes": "voltage at 100 mA/cm2 [V]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 0.0351-0.0854; median group mean 3.28). Within batch: 133 groups, median SD 0.0529. Median SD by batch: b2=0.0388; b3=0.0126; b4=0.0781; b5=0.08; b6=0.0424; b7=0.05; b8=0.0577; b9=0.0351; b10=0.0335; b11=0.099; b13=0.0636; b14=0.0265; b15=0.0578; b20=0.0369; b23=0.0241; b26=0.0351; b27=0.0611; b28=0.0834; b29=0.0603; b30=0.0628." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "fe_h2@100", "n_groups": 51, "median_sd": 4.112909, "notes": "fe_h2 at 100 mA/cm2 [%]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 2.45-7.3; median group mean 52.4). Within batch: 46 groups, median SD 3.89. Median SD by batch: b2=3.02; b3=5.37; b4=3.7; b5=4.96; b8=11.7; b10=1.01; b11=2.44; b13=6.13; b14=4.11; b15=3.04; b20=4.59; b23=7.99; b26=0.6; b27=7.35; b28=2.6; b29=6.82; b30=2.25." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "fe_h2@100", "n_groups": 87, "median_sd": 3.383709, "notes": "fe_h2 at 100 mA/cm2 [%]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 1.73-5.78; median group mean 51.4). Within batch: 87 groups, median SD 3.38. Median SD by batch: b4=3.03; b5=1.59; b6=3.45; b7=3.2; b8=4.78; b9=4.97; b10=5.33." }, { "source": "all", "reaction": "CO2RR", "quantity": "fe_h2@100", "n_groups": 138, "median_sd": 3.615262, "notes": "fe_h2 at 100 mA/cm2 [%]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 2-6.58; median group mean 51.5). Within batch: 133 groups, median SD 3.5. Median SD by batch: b2=3.02; b3=5.37; b4=3.03; b5=2.01; b6=3.45; b7=3.2; b8=4.97; b9=4.97; b10=3.17; b11=2.44; b13=6.13; b14=4.11; b15=3.04; b20=4.59; b23=7.99; b26=0.6; b27=7.35; b28=2.6; b29=6.82; b30=2.25." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "fe_co@100", "n_groups": 51, "median_sd": 2.781889, "notes": "fe_co at 100 mA/cm2 [%]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 1.12-5.63; median group mean 23.3). Within batch: 46 groups, median SD 2.55. Median SD by batch: b2=2.1; b3=5.14; b4=0.783; b5=5.18; b8=12.3; b10=1.08; b11=0.151; b13=4.84; b14=3.2; b15=2.2; b20=4.96; b23=4.12; b26=0.87; b27=10; b28=1.56; b29=1.9; b30=0." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "fe_co@100", "n_groups": 87, "median_sd": 1.932059, "notes": "fe_co at 100 mA/cm2 [%]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 0.689-5.16; median group mean 27.8). Within batch: 87 groups, median SD 1.93. Median SD by batch: b4=2.24; b5=0.816; b6=2.04; b7=2.86; b8=2.89; b9=1.93; b10=0." }, { "source": "all", "reaction": "CO2RR", "quantity": "fe_co@100", "n_groups": 138, "median_sd": 2.164245, "notes": "fe_co at 100 mA/cm2 [%]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 0.876-5.53; median group mean 25.9). Within batch: 133 groups, median SD 2.06. Median SD by batch: b2=2.1; b3=5.14; b4=1.6; b5=1.22; b6=2.04; b7=2.86; b8=4.39; b9=1.93; b10=0.539; b11=0.151; b13=4.84; b14=3.2; b15=2.2; b20=4.96; b23=4.12; b26=0.87; b27=10; b28=1.56; b29=1.9; b30=0." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "fe_c2h4@100", "n_groups": 51, "median_sd": 0.0, "notes": "fe_c2h4 at 100 mA/cm2 [%]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 0-0.00265; median group mean 0). Within batch: 46 groups, median SD 0. Median SD by batch: b2=0; b3=0.0169; b4=0; b5=0.00726; b8=0; b10=0; b11=0.00179; b13=0; b14=0; b15=0; b20=0.0505; b23=0.00179; b26=0; b27=0; b28=0.0288; b29=0; b30=0.00128." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "fe_c2h4@100", "n_groups": 87, "median_sd": 0.001288, "notes": "fe_c2h4 at 100 mA/cm2 [%]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 0.00062-0.00391; median group mean 0.00485). Within batch: 87 groups, median SD 0.00129. Median SD by batch: b4=0.0016; b5=0.000447; b6=0.00149; b7=0.00126; b8=0.00135; b9=0.000973; b10=0." }, { "source": "all", "reaction": "CO2RR", "quantity": "fe_c2h4@100", "n_groups": 138, "median_sd": 0.001192, "notes": "fe_c2h4 at 100 mA/cm2 [%]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 0-0.00324; median group mean 0.00379). Within batch: 133 groups, median SD 0.00119. Median SD by batch: b2=0; b3=0.0169; b4=0.00152; b5=0.00062; b6=0.00149; b7=0.00126; b8=0.00129; b9=0.000973; b10=0; b11=0.00179; b13=0; b14=0; b15=0; b20=0.0505; b23=0.00179; b26=0; b27=0; b28=0.0288; b29=0; b30=0.00128." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "fe_gas_total@100", "n_groups": 51, "median_sd": 2.597201, "notes": "fe_gas_total at 100 mA/cm2 [%]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 1.43-4.35; median group mean 82.2). Within batch: 46 groups, median SD 2.46. Median SD by batch: b2=3.36; b3=5.2; b4=3.12; b5=1.76; b8=1.15; b10=1.87; b11=2.6; b13=2.63; b14=0.826; b15=3.16; b20=2.97; b23=6.91; b26=1; b27=3.22; b28=3.55; b29=2.64; b30=2.25." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "fe_gas_total@100", "n_groups": 87, "median_sd": 3.647833, "notes": "fe_gas_total at 100 mA/cm2 [%]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 1.84-5.4; median group mean 82.8). Within batch: 87 groups, median SD 3.65. Median SD by batch: b4=3.85; b5=1.12; b6=3.79; b7=3.98; b8=3.86; b9=3.13; b10=5.33." }, { "source": "all", "reaction": "CO2RR", "quantity": "fe_gas_total@100", "n_groups": 138, "median_sd": 3.055375, "notes": "fe_gas_total at 100 mA/cm2 [%]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 1.58-5.32; median group mean 82.6). Within batch: 133 groups, median SD 3.01. Median SD by batch: b2=3.36; b3=5.2; b4=3.82; b5=1.21; b6=3.79; b7=3.98; b8=2.69; b9=3.13; b10=3.6; b11=2.6; b13=2.63; b14=0.826; b15=3.16; b20=2.97; b23=6.91; b26=1; b27=3.22; b28=3.55; b29=2.64; b30=2.25." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "rate_h2@100", "n_groups": 51, "median_sd": 76.729128, "notes": "rate_h2 at 100 mA/cm2 [umol/h/cm2]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 45.8-136; median group mean 978). Within batch: 46 groups, median SD 72.6. Median SD by batch: b2=56.3; b3=100; b4=69.1; b5=92.5; b8=219; b10=18.9; b11=45.5; b13=114; b14=76.7; b15=56.7; b20=85.6; b23=149; b26=11.2; b27=137; b28=48.5; b29=127; b30=41.9." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "rate_h2@100", "n_groups": 87, "median_sd": 63.125412, "notes": "rate_h2 at 100 mA/cm2 [umol/h/cm2]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 32.3-108; median group mean 959). Within batch: 87 groups, median SD 63.1. Median SD by batch: b4=56.4; b5=29.7; b6=64.4; b7=59.7; b8=89.1; b9=92.7; b10=99.5." }, { "source": "all", "reaction": "CO2RR", "quantity": "rate_h2@100", "n_groups": 138, "median_sd": 67.445194, "notes": "rate_h2 at 100 mA/cm2 [umol/h/cm2]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 37.3-123; median group mean 961). Within batch: 133 groups, median SD 65.3. Median SD by batch: b2=56.3; b3=100; b4=56.4; b5=37.5; b6=64.4; b7=59.7; b8=92.7; b9=92.7; b10=59.2; b11=45.5; b13=114; b14=76.7; b15=56.7; b20=85.6; b23=149; b26=11.2; b27=137; b28=48.5; b29=127; b30=41.9." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "rate_co@100", "n_groups": 51, "median_sd": 51.89804, "notes": "rate_co at 100 mA/cm2 [umol/h/cm2]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 20.8-105; median group mean 435). Within batch: 46 groups, median SD 47.5. Median SD by batch: b2=39.2; b3=95.9; b4=14.6; b5=96.6; b8=230; b10=20.1; b11=2.82; b13=90.2; b14=59.7; b15=41; b20=92.6; b23=76.8; b26=16.2; b27=187; b28=29; b29=35.4; b30=0." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "rate_co@100", "n_groups": 87, "median_sd": 36.043883, "notes": "rate_co at 100 mA/cm2 [umol/h/cm2]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 12.9-96.2; median group mean 519). Within batch: 87 groups, median SD 36. Median SD by batch: b4=41.7; b5=15.2; b6=38.1; b7=53.4; b8=53.9; b9=36; b10=0." }, { "source": "all", "reaction": "CO2RR", "quantity": "rate_co@100", "n_groups": 138, "median_sd": 40.375471, "notes": "rate_co at 100 mA/cm2 [umol/h/cm2]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 16.3-103; median group mean 483). Within batch: 133 groups, median SD 38.5. Median SD by batch: b2=39.2; b3=95.9; b4=29.8; b5=22.7; b6=38.1; b7=53.4; b8=81.9; b9=36; b10=10; b11=2.82; b13=90.2; b14=59.7; b15=41; b20=92.6; b23=76.8; b26=16.2; b27=187; b28=29; b29=35.4; b30=0." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "rate_c2h4@100", "n_groups": 51, "median_sd": 0.0, "notes": "rate_c2h4 at 100 mA/cm2 [umol/h/cm2]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 0-0.00825; median group mean 0). Within batch: 46 groups, median SD 0. Median SD by batch: b2=0; b3=0.0525; b4=0; b5=0.0226; b8=0; b10=0; b11=0.00556; b13=0; b14=0; b15=0; b20=0.157; b23=0.00556; b26=0; b27=0; b28=0.0896; b29=0; b30=0.00398." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "rate_c2h4@100", "n_groups": 87, "median_sd": 0.004004, "notes": "rate_c2h4 at 100 mA/cm2 [umol/h/cm2]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 0.00193-0.0122; median group mean 0.0151). Within batch: 87 groups, median SD 0.004. Median SD by batch: b4=0.00498; b5=0.00139; b6=0.00463; b7=0.00393; b8=0.00421; b9=0.00303; b10=0." }, { "source": "all", "reaction": "CO2RR", "quantity": "rate_c2h4@100", "n_groups": 138, "median_sd": 0.003707, "notes": "rate_c2h4 at 100 mA/cm2 [umol/h/cm2]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 0-0.0101; median group mean 0.0118). Within batch: 133 groups, median SD 0.00371. Median SD by batch: b2=0; b3=0.0525; b4=0.00473; b5=0.00193; b6=0.00463; b7=0.00393; b8=0.004; b9=0.00303; b10=0; b11=0.00556; b13=0; b14=0; b15=0; b20=0.157; b23=0.00556; b26=0; b27=0; b28=0.0896; b29=0; b30=0.00398." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "voltage@150", "n_groups": 51, "median_sd": 0.037859, "notes": "voltage at 150 mA/cm2 [V]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 0.0283-0.0664; median group mean 3.42). Within batch: 46 groups, median SD 0.0352. Median SD by batch: b2=0.0592; b3=0.025; b4=0.0313; b5=0.0814; b8=0.0908; b10=0.0551; b11=0.0636; b13=0.0493; b14=0.0306; b15=0.0568; b20=0.0426; b23=0.0318; b26=0.0462; b27=0.0351; b28=0.0674; b29=0.0208; b30=0.0267." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "voltage@150", "n_groups": 87, "median_sd": 0.056862, "notes": "voltage at 150 mA/cm2 [V]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 0.0382-0.0912; median group mean 3.49). Within batch: 87 groups, median SD 0.0569. Median SD by batch: b4=0.0709; b5=0.0836; b6=0.0586; b7=0.0473; b8=0.05; b9=0.0306; b10=0.0354." }, { "source": "all", "reaction": "CO2RR", "quantity": "voltage@150", "n_groups": 138, "median_sd": 0.053995, "notes": "voltage at 150 mA/cm2 [V]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 0.0328-0.0827; median group mean 3.46). Within batch: 133 groups, median SD 0.0513. Median SD by batch: b2=0.0592; b3=0.025; b4=0.0654; b5=0.0836; b6=0.0586; b7=0.0473; b8=0.0503; b9=0.0306; b10=0.0452; b11=0.0636; b13=0.0493; b14=0.0306; b15=0.0568; b20=0.0426; b23=0.0318; b26=0.0462; b27=0.0351; b28=0.0674; b29=0.0208; b30=0.0267." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "fe_h2@150", "n_groups": 51, "median_sd": 3.645553, "notes": "fe_h2 at 150 mA/cm2 [%]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 1.86-5.97; median group mean 53.7). Within batch: 46 groups, median SD 3.58. Median SD by batch: b2=3.88; b3=3.23; b4=2.97; b5=6; b8=10.2; b10=0.748; b11=2.34; b13=3.52; b14=3.29; b15=3.06; b20=6.1; b23=3.99; b26=1.05; b27=9.04; b28=5.45; b29=5.02; b30=1.17." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "fe_h2@150", "n_groups": 87, "median_sd": 4.482572, "notes": "fe_h2 at 150 mA/cm2 [%]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 2.25-7.59; median group mean 51.5). Within batch: 87 groups, median SD 4.48. Median SD by batch: b4=5.1; b5=1.02; b6=5.1; b7=2.35; b8=5.4; b9=4.79; b10=3.9." }, { "source": "all", "reaction": "CO2RR", "quantity": "fe_h2@150", "n_groups": 138, "median_sd": 4.067554, "notes": "fe_h2 at 150 mA/cm2 [%]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 2.1-7.31; median group mean 52.2). Within batch: 133 groups, median SD 4.06. Median SD by batch: b2=3.88; b3=3.23; b4=4.23; b5=1.41; b6=5.1; b7=2.35; b8=7.35; b9=4.79; b10=2.32; b11=2.34; b13=3.52; b14=3.29; b15=3.06; b20=6.1; b23=3.99; b26=1.05; b27=9.04; b28=5.45; b29=5.02; b30=1.17." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "fe_co@150", "n_groups": 51, "median_sd": 2.805164, "notes": "fe_co at 150 mA/cm2 [%]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 0.953-5.41; median group mean 22.7). Within batch: 46 groups, median SD 2.76. Median SD by batch: b2=2.36; b3=2.63; b4=0.792; b5=5.33; b8=11.2; b10=0.813; b11=0.0417; b13=3.62; b14=2.95; b15=1.6; b20=6.52; b23=5.91; b26=0.744; b27=11.2; b28=3.11; b29=3.26; b30=0." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "fe_co@150", "n_groups": 87, "median_sd": 2.651701, "notes": "fe_co at 150 mA/cm2 [%]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 0.956-5.82; median group mean 21.4). Within batch: 87 groups, median SD 2.65. Median SD by batch: b4=3.04; b5=0.745; b6=1.93; b7=1.79; b8=4.92; b9=1.3; b10=0." }, { "source": "all", "reaction": "CO2RR", "quantity": "fe_co@150", "n_groups": 138, "median_sd": 2.764939, "notes": "fe_co at 150 mA/cm2 [%]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 0.954-5.78; median group mean 21.5). Within batch: 133 groups, median SD 2.72. Median SD by batch: b2=2.36; b3=2.63; b4=2.62; b5=1.44; b6=1.93; b7=1.79; b8=5.83; b9=1.3; b10=0.407; b11=0.0417; b13=3.62; b14=2.95; b15=1.6; b20=6.52; b23=5.91; b26=0.744; b27=11.2; b28=3.11; b29=3.26; b30=0." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "fe_c2h4@150", "n_groups": 51, "median_sd": 0.000397, "notes": "fe_c2h4 at 150 mA/cm2 [%]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 0-0.00296; median group mean 0.000937). Within batch: 46 groups, median SD 0. Median SD by batch: b2=0; b3=0.112; b4=0; b5=0.0204; b8=0.000406; b10=0; b11=0.00119; b13=0; b14=0; b15=0; b20=0.119; b23=0.00156; b26=0; b27=0; b28=0.0377; b29=0.000811; b30=0.000841." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "fe_c2h4@150", "n_groups": 87, "median_sd": 0.001442, "notes": "fe_c2h4 at 150 mA/cm2 [%]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 0.000707-0.00818; median group mean 0.00562). Within batch: 87 groups, median SD 0.00144. Median SD by batch: b4=0.00223; b5=0.000649; b6=0.00159; b7=0.00191; b8=0.00119; b9=0.000743; b10=0." }, { "source": "all", "reaction": "CO2RR", "quantity": "fe_c2h4@150", "n_groups": 138, "median_sd": 0.001136, "notes": "fe_c2h4 at 150 mA/cm2 [%]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 0.000219-0.00611; median group mean 0.00407). Within batch: 133 groups, median SD 0.00106. Median SD by batch: b2=0; b3=0.112; b4=0.00208; b5=0.00073; b6=0.00159; b7=0.00191; b8=0.00114; b9=0.000743; b10=0; b11=0.00119; b13=0; b14=0; b15=0; b20=0.119; b23=0.00156; b26=0; b27=0; b28=0.0377; b29=0.000811; b30=0.000841." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "fe_gas_total@150", "n_groups": 51, "median_sd": 2.208395, "notes": "fe_gas_total at 150 mA/cm2 [%]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 1.26-4.85; median group mean 81.9). Within batch: 46 groups, median SD 2.17. Median SD by batch: b2=6.02; b3=2.4; b4=3.4; b5=1.99; b8=1.55; b10=0.842; b11=2.31; b13=1.59; b14=2.21; b15=4.41; b20=2.03; b23=6.4; b26=0.773; b27=2.93; b28=7.87; b29=1.31; b30=1.13." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "fe_gas_total@150", "n_groups": 87, "median_sd": 3.451865, "notes": "fe_gas_total at 150 mA/cm2 [%]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 1.93-4.99; median group mean 82). Within batch: 87 groups, median SD 3.45. Median SD by batch: b4=3.75; b5=0.603; b6=3.55; b7=2.56; b8=3.83; b9=3.55; b10=3.9." }, { "source": "all", "reaction": "CO2RR", "quantity": "fe_gas_total@150", "n_groups": 138, "median_sd": 2.983291, "notes": "fe_gas_total at 150 mA/cm2 [%]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 1.48-4.92; median group mean 82). Within batch: 133 groups, median SD 2.95. Median SD by batch: b2=6.02; b3=2.4; b4=3.67; b5=0.712; b6=3.55; b7=2.56; b8=3.09; b9=3.55; b10=2.37; b11=2.31; b13=1.59; b14=2.21; b15=4.41; b20=2.03; b23=6.4; b26=0.773; b27=2.93; b28=7.87; b29=1.31; b30=1.13." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "rate_h2@150", "n_groups": 51, "median_sd": 102.015423, "notes": "rate_h2 at 150 mA/cm2 [umol/h/cm2]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 52.1-167; median group mean 1.5e+03). Within batch: 46 groups, median SD 100. Median SD by batch: b2=109; b3=90.4; b4=83; b5=168; b8=285; b10=20.9; b11=65.6; b13=98.5; b14=92.1; b15=85.6; b20=171; b23=112; b26=29.4; b27=253; b28=152; b29=140; b30=32.7." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "rate_h2@150", "n_groups": 87, "median_sd": 125.438174, "notes": "rate_h2 at 150 mA/cm2 [umol/h/cm2]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 63-212; median group mean 1.44e+03). Within batch: 87 groups, median SD 125. Median SD by batch: b4=143; b5=28.5; b6=143; b7=65.8; b8=151; b9=134; b10=109." }, { "source": "all", "reaction": "CO2RR", "quantity": "rate_h2@150", "n_groups": 138, "median_sd": 113.824516, "notes": "rate_h2 at 150 mA/cm2 [umol/h/cm2]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 58.9-204; median group mean 1.46e+03). Within batch: 133 groups, median SD 113. Median SD by batch: b2=109; b3=90.4; b4=118; b5=39.5; b6=143; b7=65.8; b8=206; b9=134; b10=65.1; b11=65.6; b13=98.5; b14=92.1; b15=85.6; b20=171; b23=112; b26=29.4; b27=253; b28=152; b29=140; b30=32.7." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "rate_co@150", "n_groups": 51, "median_sd": 78.498378, "notes": "rate_co at 150 mA/cm2 [umol/h/cm2]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 26.7-152; median group mean 635). Within batch: 46 groups, median SD 77.4. Median SD by batch: b2=66.1; b3=73.7; b4=22.2; b5=149; b8=314; b10=22.8; b11=1.17; b13=101; b14=82.6; b15=44.8; b20=182; b23=165; b26=20.8; b27=313; b28=87; b29=91.2; b30=0." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "rate_co@150", "n_groups": 87, "median_sd": 74.203961, "notes": "rate_co at 150 mA/cm2 [umol/h/cm2]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 26.8-163; median group mean 597). Within batch: 87 groups, median SD 74.2. Median SD by batch: b4=85; b5=20.8; b6=54; b7=50.1; b8=138; b9=36.5; b10=0." }, { "source": "all", "reaction": "CO2RR", "quantity": "rate_co@150", "n_groups": 138, "median_sd": 77.372754, "notes": "rate_co at 150 mA/cm2 [umol/h/cm2]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 26.7-162; median group mean 601). Within batch: 133 groups, median SD 76.1. Median SD by batch: b2=66.1; b3=73.7; b4=73.4; b5=40.4; b6=54; b7=50.1; b8=163; b9=36.5; b10=11.4; b11=1.17; b13=101; b14=82.6; b15=44.8; b20=182; b23=165; b26=20.8; b27=313; b28=87; b29=91.2; b30=0." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "rate_c2h4@150", "n_groups": 51, "median_sd": 0.001853, "notes": "rate_c2h4 at 150 mA/cm2 [umol/h/cm2]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 0-0.0138; median group mean 0.00437). Within batch: 46 groups, median SD 0. Median SD by batch: b2=0; b3=0.524; b4=0; b5=0.0951; b8=0.00189; b10=0; b11=0.00556; b13=0; b14=0; b15=0; b20=0.554; b23=0.00729; b26=0; b27=0; b28=0.176; b29=0.00378; b30=0.00392." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "rate_c2h4@150", "n_groups": 87, "median_sd": 0.006725, "notes": "rate_c2h4 at 150 mA/cm2 [umol/h/cm2]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 0.0033-0.0381; median group mean 0.0262). Within batch: 87 groups, median SD 0.00672. Median SD by batch: b4=0.0104; b5=0.00303; b6=0.00741; b7=0.00892; b8=0.00556; b9=0.00347; b10=0." }, { "source": "all", "reaction": "CO2RR", "quantity": "rate_c2h4@150", "n_groups": 138, "median_sd": 0.005296, "notes": "rate_c2h4 at 150 mA/cm2 [umol/h/cm2]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 0.00102-0.0285; median group mean 0.019). Within batch: 133 groups, median SD 0.00496. Median SD by batch: b2=0; b3=0.524; b4=0.0097; b5=0.0034; b6=0.00741; b7=0.00892; b8=0.0053; b9=0.00347; b10=0; b11=0.00556; b13=0; b14=0; b15=0; b20=0.554; b23=0.00729; b26=0; b27=0; b28=0.176; b29=0.00378; b30=0.00392." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "voltage@200", "n_groups": 51, "median_sd": 0.045092, "notes": "voltage at 200 mA/cm2 [V]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 0.0265-0.0699; median group mean 3.56). Within batch: 46 groups, median SD 0.041. Median SD by batch: b2=0.055; b3=0.0287; b4=0.0363; b5=0.082; b8=0.0857; b10=0.0551; b11=0.0141; b13=0.0378; b14=0.0289; b15=0.0532; b20=0.0428; b23=0.0495; b26=0.0635; b27=0.0208; b28=0.0685; b29=0.0265; b30=0.0479." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "voltage@200", "n_groups": 87, "median_sd": 0.06364, "notes": "voltage at 200 mA/cm2 [V]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 0.0351-0.0856; median group mean 3.63). Within batch: 87 groups, median SD 0.0636. Median SD by batch: b4=0.0722; b5=0.101; b6=0.0608; b7=0.0265; b8=0.0551; b9=0.03; b10=0.0424." }, { "source": "all", "reaction": "CO2RR", "quantity": "voltage@200", "n_groups": 138, "median_sd": 0.055076, "notes": "voltage at 200 mA/cm2 [V]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 0.0292-0.0849; median group mean 3.61). Within batch: 133 groups, median SD 0.0551. Median SD by batch: b2=0.055; b3=0.0287; b4=0.0715; b5=0.0908; b6=0.0608; b7=0.0265; b8=0.0551; b9=0.03; b10=0.0488; b11=0.0141; b13=0.0378; b14=0.0289; b15=0.0532; b20=0.0428; b23=0.0495; b26=0.0635; b27=0.0208; b28=0.0685; b29=0.0265; b30=0.0479." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "fe_h2@200", "n_groups": 51, "median_sd": 3.527293, "notes": "fe_h2 at 200 mA/cm2 [%]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 2.13-7.4; median group mean 62). Within batch: 46 groups, median SD 3.26. Median SD by batch: b2=7.66; b3=3.83; b4=3.24; b5=5.12; b8=5.83; b10=0.0922; b11=17.7; b13=2.73; b14=2.64; b15=1.49; b20=7.54; b23=12.9; b26=2.26; b27=8.82; b28=8.1; b29=2.01; b30=1.73." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "fe_h2@200", "n_groups": 87, "median_sd": 5.745751, "notes": "fe_h2 at 200 mA/cm2 [%]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 2.55-12.1; median group mean 61.2). Within batch: 87 groups, median SD 5.75. Median SD by batch: b4=6.25; b5=2.26; b6=5.84; b7=3.59; b8=14.7; b9=6.78; b10=3.62." }, { "source": "all", "reaction": "CO2RR", "quantity": "fe_h2@200", "n_groups": 138, "median_sd": 4.835657, "notes": "fe_h2 at 200 mA/cm2 [%]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 2.38-9.37; median group mean 61.5). Within batch: 133 groups, median SD 4.73. Median SD by batch: b2=7.66; b3=3.83; b4=5.02; b5=2.7; b6=5.84; b7=3.59; b8=13.4; b9=6.78; b10=1.86; b11=17.7; b13=2.73; b14=2.64; b15=1.49; b20=7.54; b23=12.9; b26=2.26; b27=8.82; b28=8.1; b29=2.01; b30=1.73." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "fe_co@200", "n_groups": 51, "median_sd": 2.821626, "notes": "fe_co at 200 mA/cm2 [%]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 1.28-7.73; median group mean 15.3). Within batch: 46 groups, median SD 2.82. Median SD by batch: b2=2.96; b3=4.29; b4=0.769; b5=4.97; b8=7.77; b10=0.644; b11=12.6; b13=2.37; b14=2.62; b15=1.6; b20=8.84; b23=15; b26=1.91; b27=8.75; b28=6.75; b29=1.7; b30=0." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "fe_co@200", "n_groups": 87, "median_sd": 2.852079, "notes": "fe_co at 200 mA/cm2 [%]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 0.823-7.94; median group mean 11.8). Within batch: 87 groups, median SD 2.85. Median SD by batch: b4=2.73; b5=1.09; b6=4.62; b7=0.926; b8=7.15; b9=2.72; b10=0." }, { "source": "all", "reaction": "CO2RR", "quantity": "fe_co@200", "n_groups": 138, "median_sd": 2.847512, "notes": "fe_co at 200 mA/cm2 [%]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 0.908-7.84; median group mean 14.4). Within batch: 133 groups, median SD 2.84. Median SD by batch: b2=2.96; b3=4.29; b4=2.33; b5=1.61; b6=4.62; b7=0.926; b8=7.15; b9=2.72; b10=0.322; b11=12.6; b13=2.37; b14=2.62; b15=1.6; b20=8.84; b23=15; b26=1.91; b27=8.75; b28=6.75; b29=1.7; b30=0." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "fe_c2h4@200", "n_groups": 51, "median_sd": 0.000798, "notes": "fe_c2h4 at 200 mA/cm2 [%]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 0-0.00348; median group mean 0.00169). Within batch: 46 groups, median SD 0.000577. Median SD by batch: b2=0; b3=0.276; b4=0; b5=0.0278; b8=0.000332; b10=0; b11=0.00253; b13=0; b14=0.0014; b15=0; b20=0.13; b23=0.000678; b26=0; b27=0.000798; b28=0.0355; b29=0.000894; b30=0.00112." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "fe_c2h4@200", "n_groups": 87, "median_sd": 0.001716, "notes": "fe_c2h4 at 200 mA/cm2 [%]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 0.000847-0.0108; median group mean 0.00527). Within batch: 87 groups, median SD 0.00172. Median SD by batch: b4=0.00312; b5=0.000704; b6=0.00268; b7=0.00213; b8=0.00095; b9=0.000852; b10=0." }, { "source": "all", "reaction": "CO2RR", "quantity": "fe_c2h4@200", "n_groups": 138, "median_sd": 0.001419, "notes": "fe_c2h4 at 200 mA/cm2 [%]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 0.000567-0.00484; median group mean 0.00372). Within batch: 133 groups, median SD 0.00138. Median SD by batch: b2=0; b3=0.276; b4=0.00277; b5=0.000887; b6=0.00268; b7=0.00213; b8=0.000843; b9=0.000852; b10=0; b11=0.00253; b13=0; b14=0.0014; b15=0; b20=0.13; b23=0.000678; b26=0; b27=0.000798; b28=0.0355; b29=0.000894; b30=0.00112." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "fe_gas_total@200", "n_groups": 51, "median_sd": 2.197476, "notes": "fe_gas_total at 200 mA/cm2 [%]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 1.22-4.86; median group mean 81.9). Within batch: 46 groups, median SD 2.01. Median SD by batch: b2=10.4; b3=2.58; b4=3.25; b5=1.79; b8=1.99; b10=0.575; b11=5.12; b13=1.82; b14=0.46; b15=2.69; b20=1.92; b23=7.59; b26=1.51; b27=1.47; b28=7.16; b29=0.716; b30=1.75." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "fe_gas_total@200", "n_groups": 87, "median_sd": 3.526492, "notes": "fe_gas_total at 200 mA/cm2 [%]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 2.02-5.55; median group mean 80.4). Within batch: 87 groups, median SD 3.53. Median SD by batch: b4=4.3; b5=1.24; b6=2.91; b7=2.35; b8=4.79; b9=4.23; b10=3.62." }, { "source": "all", "reaction": "CO2RR", "quantity": "fe_gas_total@200", "n_groups": 138, "median_sd": 3.023898, "notes": "fe_gas_total at 200 mA/cm2 [%]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 1.54-5.14; median group mean 81.1). Within batch: 133 groups, median SD 3.04. Median SD by batch: b2=10.4; b3=2.58; b4=4.2; b5=1.56; b6=2.91; b7=2.35; b8=4.3; b9=4.23; b10=2.1; b11=5.12; b13=1.82; b14=0.46; b15=2.69; b20=1.92; b23=7.59; b26=1.51; b27=1.47; b28=7.16; b29=0.716; b30=1.75." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "rate_h2@200", "n_groups": 51, "median_sd": 131.608126, "notes": "rate_h2 at 200 mA/cm2 [umol/h/cm2]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 79.5-276; median group mean 2.31e+03). Within batch: 46 groups, median SD 122. Median SD by batch: b2=286; b3=143; b4=121; b5=191; b8=217; b10=3.44; b11=659; b13=102; b14=98.6; b15=55.5; b20=281; b23=483; b26=84.5; b27=329; b28=302; b29=74.9; b30=64.6." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "rate_h2@200", "n_groups": 87, "median_sd": 214.381854, "notes": "rate_h2 at 200 mA/cm2 [umol/h/cm2]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 95.2-453; median group mean 2.28e+03). Within batch: 87 groups, median SD 214. Median SD by batch: b4=233; b5=84.4; b6=218; b7=134; b8=549; b9=253; b10=135." }, { "source": "all", "reaction": "CO2RR", "quantity": "rate_h2@200", "n_groups": 138, "median_sd": 180.425003, "notes": "rate_h2 at 200 mA/cm2 [umol/h/cm2]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 88.9-350; median group mean 2.29e+03). Within batch: 133 groups, median SD 177. Median SD by batch: b2=286; b3=143; b4=187; b5=101; b6=218; b7=134; b8=498; b9=253; b10=69.3; b11=659; b13=102; b14=98.6; b15=55.5; b20=281; b23=483; b26=84.5; b27=329; b28=302; b29=74.9; b30=64.6." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "rate_co@200", "n_groups": 51, "median_sd": 105.278729, "notes": "rate_co at 200 mA/cm2 [umol/h/cm2]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 47.7-289; median group mean 573). Within batch: 46 groups, median SD 105. Median SD by batch: b2=110; b3=160; b4=28.7; b5=185; b8=290; b10=24; b11=470; b13=88.3; b14=97.7; b15=59.6; b20=330; b23=559; b26=71.2; b27=327; b28=252; b29=63.5; b30=0." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "rate_co@200", "n_groups": 87, "median_sd": 106.414975, "notes": "rate_co at 200 mA/cm2 [umol/h/cm2]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 30.7-296; median group mean 439). Within batch: 87 groups, median SD 106. Median SD by batch: b4=102; b5=40.8; b6=172; b7=34.6; b8=267; b9=102; b10=0." }, { "source": "all", "reaction": "CO2RR", "quantity": "rate_co@200", "n_groups": 138, "median_sd": 106.244579, "notes": "rate_co at 200 mA/cm2 [umol/h/cm2]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 33.9-293; median group mean 538). Within batch: 133 groups, median SD 106. Median SD by batch: b2=110; b3=160; b4=86.9; b5=60; b6=172; b7=34.6; b8=267; b9=102; b10=12; b11=470; b13=88.3; b14=97.7; b15=59.6; b20=330; b23=559; b26=71.2; b27=327; b28=252; b29=63.5; b30=0." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "rate_c2h4@200", "n_groups": 51, "median_sd": 0.004961, "notes": "rate_c2h4 at 200 mA/cm2 [umol/h/cm2]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 0-0.0216; median group mean 0.0105). Within batch: 46 groups, median SD 0.00359. Median SD by batch: b2=0; b3=1.71; b4=0; b5=0.173; b8=0.00207; b10=0; b11=0.0158; b13=0; b14=0.00873; b15=0; b20=0.811; b23=0.00422; b26=0; b27=0.00496; b28=0.221; b29=0.00556; b30=0.00695." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "rate_c2h4@200", "n_groups": 87, "median_sd": 0.010673, "notes": "rate_c2h4 at 200 mA/cm2 [umol/h/cm2]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 0.00527-0.0671; median group mean 0.0328). Within batch: 87 groups, median SD 0.0107. Median SD by batch: b4=0.0194; b5=0.00438; b6=0.0167; b7=0.0133; b8=0.00591; b9=0.0053; b10=0." }, { "source": "all", "reaction": "CO2RR", "quantity": "rate_c2h4@200", "n_groups": 138, "median_sd": 0.008823, "notes": "rate_c2h4 at 200 mA/cm2 [umol/h/cm2]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 0.00353-0.0301; median group mean 0.0232). Within batch: 133 groups, median SD 0.00859. Median SD by batch: b2=0; b3=1.71; b4=0.0173; b5=0.00551; b6=0.0167; b7=0.0133; b8=0.00524; b9=0.0053; b10=0; b11=0.0158; b13=0; b14=0.00873; b15=0; b20=0.811; b23=0.00422; b26=0; b27=0.00496; b28=0.221; b29=0.00556; b30=0.00695." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "voltage@300", "n_groups": 51, "median_sd": 0.055076, "notes": "voltage at 300 mA/cm2 [V]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 0.0414-0.086; median group mean 3.73). Within batch: 46 groups, median SD 0.0551. Median SD by batch: b2=0.0912; b3=0.0454; b4=0.0431; b5=0.081; b8=0.108; b10=0.0681; b11=0.0283; b13=0.0464; b14=0.0551; b15=0.0581; b20=0.0382; b23=0.0642; b26=0.0551; b27=0.0643; b28=0.0662; b29=0.0458; b30=0.0492." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "voltage@300", "n_groups": 87, "median_sd": 0.056569, "notes": "voltage at 300 mA/cm2 [V]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 0.0361-0.0801; median group mean 3.77). Within batch: 87 groups, median SD 0.0566. Median SD by batch: b4=0.0643; b5=0.0742; b6=0.0379; b7=0.0361; b8=0.0495; b9=0.0636; b10=0.0778." }, { "source": "all", "reaction": "CO2RR", "quantity": "voltage@300", "n_groups": 138, "median_sd": 0.055377, "notes": "voltage at 300 mA/cm2 [V]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 0.0379-0.0807; median group mean 3.77). Within batch: 133 groups, median SD 0.0551. Median SD by batch: b2=0.0912; b3=0.0454; b4=0.064; b5=0.0806; b6=0.0379; b7=0.0361; b8=0.0557; b9=0.0636; b10=0.0729; b11=0.0283; b13=0.0464; b14=0.0551; b15=0.0581; b20=0.0382; b23=0.0642; b26=0.0551; b27=0.0643; b28=0.0662; b29=0.0458; b30=0.0492." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "fe_h2@300", "n_groups": 51, "median_sd": 3.445202, "notes": "fe_h2 at 300 mA/cm2 [%]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 1.85-5.42; median group mean 69.8). Within batch: 46 groups, median SD 2.95. Median SD by batch: b2=8.49; b3=7.23; b4=1.7; b5=3.17; b8=1.96; b10=1.88; b11=5.14; b13=1.9; b14=3.37; b15=2.19; b20=4.93; b23=8.33; b26=3.71; b27=3.6; b28=4.28; b29=4.77; b30=1.01." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "fe_h2@300", "n_groups": 87, "median_sd": 6.124511, "notes": "fe_h2 at 300 mA/cm2 [%]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 2.96-10.2; median group mean 74). Within batch: 87 groups, median SD 6.12. Median SD by batch: b4=6.67; b5=5.48; b6=5.16; b7=4.92; b8=7.43; b9=3.99; b10=5.78." }, { "source": "all", "reaction": "CO2RR", "quantity": "fe_h2@300", "n_groups": 138, "median_sd": 5.028465, "notes": "fe_h2 at 300 mA/cm2 [%]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 2.45-8.48; median group mean 72.1). Within batch: 133 groups, median SD 4.96. Median SD by batch: b2=8.49; b3=7.23; b4=6.41; b5=4.16; b6=5.16; b7=4.92; b8=6.79; b9=3.99; b10=3.83; b11=5.14; b13=1.9; b14=3.37; b15=2.19; b20=4.93; b23=8.33; b26=3.71; b27=3.6; b28=4.28; b29=4.77; b30=1.01." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "fe_co@300", "n_groups": 51, "median_sd": 2.161955, "notes": "fe_co at 300 mA/cm2 [%]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 1.3-4.35; median group mean 8.46). Within batch: 46 groups, median SD 2.2. Median SD by batch: b2=3.02; b3=7.03; b4=1.17; b5=6.54; b8=1.83; b10=1.06; b11=2.16; b13=2.77; b14=1.79; b15=1.92; b20=5.41; b23=12.7; b26=2.06; b27=2.24; b28=4.69; b29=4.39; b30=0.104." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "fe_co@300", "n_groups": 87, "median_sd": 1.268435, "notes": "fe_co at 300 mA/cm2 [%]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 0.402-3.79; median group mean 3.37). Within batch: 87 groups, median SD 1.27. Median SD by batch: b4=1.09; b5=1.46; b6=1.6; b7=0.42; b8=3.26; b9=0.33; b10=0." }, { "source": "all", "reaction": "CO2RR", "quantity": "fe_co@300", "n_groups": 138, "median_sd": 1.852459, "notes": "fe_co at 300 mA/cm2 [%]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 0.5-4.05; median group mean 5.46). Within batch: 133 groups, median SD 1.8. Median SD by batch: b2=3.02; b3=7.03; b4=1.09; b5=2.18; b6=1.6; b7=0.42; b8=2.29; b9=0.33; b10=0.53; b11=2.16; b13=2.77; b14=1.79; b15=1.92; b20=5.41; b23=12.7; b26=2.06; b27=2.24; b28=4.69; b29=4.39; b30=0.104." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "fe_c2h4@300", "n_groups": 51, "median_sd": 0.000664, "notes": "fe_c2h4 at 300 mA/cm2 [%]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 4.06e-05-0.00317; median group mean 0.00178). Within batch: 46 groups, median SD 0.000546. Median SD by batch: b2=0; b3=0.147; b4=0.000608; b5=0.0427; b8=0.000468; b10=0; b11=0.00159; b13=0; b14=0.00732; b15=0; b20=0.0585; b23=0.000555; b26=0; b27=0.000507; b28=0.0267; b29=0.000585; b30=0.00109." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "fe_c2h4@300", "n_groups": 87, "median_sd": 0.001335, "notes": "fe_c2h4 at 300 mA/cm2 [%]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 0.000576-0.00777; median group mean 0.00361). Within batch: 87 groups, median SD 0.00134. Median SD by batch: b4=0.00327; b5=0.000697; b6=0.00109; b7=0.00109; b8=0.000596; b9=0.000743; b10=0." }, { "source": "all", "reaction": "CO2RR", "quantity": "fe_c2h4@300", "n_groups": 138, "median_sd": 0.001048, "notes": "fe_c2h4 at 300 mA/cm2 [%]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 0.000358-0.00494; median group mean 0.00316). Within batch: 133 groups, median SD 0.00104. Median SD by batch: b2=0; b3=0.147; b4=0.00275; b5=0.000987; b6=0.00109; b7=0.00109; b8=0.000596; b9=0.000743; b10=0; b11=0.00159; b13=0; b14=0.00732; b15=0; b20=0.0585; b23=0.000555; b26=0; b27=0.000507; b28=0.0267; b29=0.000585; b30=0.00109." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "fe_gas_total@300", "n_groups": 51, "median_sd": 1.959023, "notes": "fe_gas_total at 300 mA/cm2 [%]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 1.12-4.5; median group mean 80.6). Within batch: 46 groups, median SD 1.88. Median SD by batch: b2=9.21; b3=1.72; b4=3.08; b5=6.85; b8=0.696; b10=2.87; b11=7.29; b13=1.95; b14=2.4; b15=2.16; b20=1.59; b23=14; b26=1.15; b27=0.729; b28=4.2; b29=0.94; b30=1.07." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "fe_gas_total@300", "n_groups": 87, "median_sd": 4.115476, "notes": "fe_gas_total at 300 mA/cm2 [%]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 2.51-6.47; median group mean 79.6). Within batch: 87 groups, median SD 4.12. Median SD by batch: b4=4.72; b5=3.51; b6=2.95; b7=3.16; b8=4.88; b9=3.16; b10=5.78." }, { "source": "all", "reaction": "CO2RR", "quantity": "fe_gas_total@300", "n_groups": 138, "median_sd": 3.424477, "notes": "fe_gas_total at 300 mA/cm2 [%]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 1.85-6.07; median group mean 79.7). Within batch: 133 groups, median SD 3.27. Median SD by batch: b2=9.21; b3=1.72; b4=4.63; b5=3.51; b6=2.95; b7=3.16; b8=4.15; b9=3.16; b10=4.33; b11=7.29; b13=1.95; b14=2.4; b15=2.16; b20=1.59; b23=14; b26=1.15; b27=0.729; b28=4.2; b29=0.94; b30=1.07." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "rate_h2@300", "n_groups": 51, "median_sd": 192.817796, "notes": "rate_h2 at 300 mA/cm2 [umol/h/cm2]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 104-304; median group mean 3.9e+03). Within batch: 46 groups, median SD 165. Median SD by batch: b2=475; b3=404; b4=95.2; b5=177; b8=110; b10=105; b11=287; b13=106; b14=188; b15=122; b20=276; b23=466; b26=208; b27=201; b28=240; b29=267; b30=56.8." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "rate_h2@300", "n_groups": 87, "median_sd": 342.770839, "notes": "rate_h2 at 300 mA/cm2 [umol/h/cm2]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 166-569; median group mean 4.14e+03). Within batch: 87 groups, median SD 343. Median SD by batch: b4=374; b5=307; b6=289; b7=275; b8=416; b9=223; b10=323." }, { "source": "all", "reaction": "CO2RR", "quantity": "rate_h2@300", "n_groups": 138, "median_sd": 281.428387, "notes": "rate_h2 at 300 mA/cm2 [umol/h/cm2]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 137-474; median group mean 4.04e+03). Within batch: 133 groups, median SD 277. Median SD by batch: b2=475; b3=404; b4=359; b5=233; b6=289; b7=275; b8=380; b9=223; b10=214; b11=287; b13=106; b14=188; b15=122; b20=276; b23=466; b26=208; b27=201; b28=240; b29=267; b30=56.8." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "rate_co@300", "n_groups": 51, "median_sd": 120.998239, "notes": "rate_co at 300 mA/cm2 [umol/h/cm2]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 72.9-243; median group mean 473). Within batch: 46 groups, median SD 123. Median SD by batch: b2=169; b3=393; b4=65.3; b5=366; b8=103; b10=59.3; b11=121; b13=155; b14=100; b15=107; b20=303; b23=713; b26=115; b27=125; b28=263; b29=246; b30=5.83." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "rate_co@300", "n_groups": 87, "median_sd": 70.990546, "notes": "rate_co at 300 mA/cm2 [umol/h/cm2]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 22.5-212; median group mean 189). Within batch: 87 groups, median SD 71. Median SD by batch: b4=61.3; b5=81.9; b6=89.6; b7=23.5; b8=183; b9=18.5; b10=0." }, { "source": "all", "reaction": "CO2RR", "quantity": "rate_co@300", "n_groups": 138, "median_sd": 103.6767, "notes": "rate_co at 300 mA/cm2 [umol/h/cm2]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 28-226; median group mean 306). Within batch: 133 groups, median SD 101. Median SD by batch: b2=169; b3=393; b4=61.3; b5=122; b6=89.6; b7=23.5; b8=128; b9=18.5; b10=29.7; b11=121; b13=155; b14=100; b15=107; b20=303; b23=713; b26=115; b27=125; b28=263; b29=246; b30=5.83." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "rate_c2h4@300", "n_groups": 51, "median_sd": 0.006193, "notes": "rate_c2h4 at 300 mA/cm2 [umol/h/cm2]. Overall: median SD across 51 (source, target) groups with >=2 replicates (IQR 0.000378-0.0295; median group mean 0.0166). Within batch: 46 groups, median SD 0.00509. Median SD by batch: b2=0; b3=1.37; b4=0.00567; b5=0.399; b8=0.00437; b10=0; b11=0.0148; b13=0; b14=0.0683; b15=0; b20=0.546; b23=0.00517; b26=0; b27=0.00473; b28=0.249; b29=0.00546; b30=0.0102." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "rate_c2h4@300", "n_groups": 87, "median_sd": 0.012455, "notes": "rate_c2h4 at 300 mA/cm2 [umol/h/cm2]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 0.00538-0.0725; median group mean 0.0336). Within batch: 87 groups, median SD 0.0125. Median SD by batch: b4=0.0305; b5=0.0065; b6=0.0102; b7=0.0102; b8=0.00556; b9=0.00693; b10=0." }, { "source": "all", "reaction": "CO2RR", "quantity": "rate_c2h4@300", "n_groups": 138, "median_sd": 0.009777, "notes": "rate_c2h4 at 300 mA/cm2 [umol/h/cm2]. Overall: median SD across 138 (source, target) groups with >=2 replicates (IQR 0.00334-0.0461; median group mean 0.0295). Within batch: 133 groups, median SD 0.00966. Median SD by batch: b2=0; b3=1.37; b4=0.0257; b5=0.00921; b6=0.0102; b7=0.0102; b8=0.00556; b9=0.00693; b10=0; b11=0.0148; b13=0; b14=0.0683; b15=0; b20=0.546; b23=0.00517; b26=0; b27=0.00473; b28=0.249; b29=0.00546; b30=0.0102." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "j_at_3p3V@3.3V", "n_groups": 49, "median_sd": 12.939955, "notes": "j_at_3p3V interpolated at 3.3 V (non-canonical) [mA/cm2]. Overall: median SD across 49 (source, target) groups with >=2 replicates (IQR 8.76-18.2; median group mean 116). Within batch: 44 groups, median SD 11.6. Median SD by batch: b2=22.5; b3=7.2; b4=14.3; b5=12.1; b8=11.1; b10=17.8; b11=21.9; b13=12.4; b14=8.55; b15=21.4; b20=4.42; b23=6.37; b26=9.72; b27=13.2; b28=11.2; b29=15.2; b30=13.4." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "j_at_3p3V@3.3V", "n_groups": 87, "median_sd": 13.742366, "notes": "j_at_3p3V interpolated at 3.3 V (non-canonical) [mA/cm2]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 7.95-18.1; median group mean 104). Within batch: 87 groups, median SD 13.7. Median SD by batch: b4=14.5; b5=25.9; b6=15.7; b7=11.6; b8=13.7; b9=7.95; b10=4.65." }, { "source": "all", "reaction": "CO2RR", "quantity": "j_at_3p3V@3.3V", "n_groups": 136, "median_sd": 13.210801, "notes": "j_at_3p3V interpolated at 3.3 V (non-canonical) [mA/cm2]. Overall: median SD across 136 (source, target) groups with >=2 replicates (IQR 8.01-18.2; median group mean 108). Within batch: 131 groups, median SD 13. Median SD by batch: b2=22.5; b3=7.2; b4=14.5; b5=21.8; b6=15.7; b7=11.6; b8=13; b9=7.95; b10=11.2; b11=21.9; b13=12.4; b14=8.55; b15=21.4; b20=4.42; b23=6.37; b26=9.72; b27=13.2; b28=11.2; b29=15.2; b30=13.4." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "fe_h2@3.3V", "n_groups": 49, "median_sd": 3.505952, "notes": "fe_h2 interpolated at 3.3 V (non-canonical) [%]. Overall: median SD across 49 (source, target) groups with >=2 replicates (IQR 2.09-6.67; median group mean 55.6). Within batch: 44 groups, median SD 3.22. Median SD by batch: b2=5.09; b3=5.1; b4=3.58; b5=6.38; b8=13.1; b10=0.466; b11=0.0767; b13=4.38; b14=2.81; b15=2.58; b20=4.21; b23=8.37; b26=0.604; b27=8.91; b28=4.91; b29=2.94; b30=1.2." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "fe_h2@3.3V", "n_groups": 87, "median_sd": 3.37913, "notes": "fe_h2 interpolated at 3.3 V (non-canonical) [%]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 1.98-5.95; median group mean 52.2). Within batch: 87 groups, median SD 3.38. Median SD by batch: b4=3.09; b5=1.98; b6=4.93; b7=3.02; b8=3.97; b9=5.57; b10=5.86." }, { "source": "all", "reaction": "CO2RR", "quantity": "fe_h2@3.3V", "n_groups": 136, "median_sd": 3.390992, "notes": "fe_h2 interpolated at 3.3 V (non-canonical) [%]. Overall: median SD across 136 (source, target) groups with >=2 replicates (IQR 1.98-6.27; median group mean 52.8). Within batch: 131 groups, median SD 3.38. Median SD by batch: b2=5.09; b3=5.1; b4=3.09; b5=2.93; b6=4.93; b7=3.02; b8=4.17; b9=5.57; b10=3.16; b11=0.0767; b13=4.38; b14=2.81; b15=2.58; b20=4.21; b23=8.37; b26=0.604; b27=8.91; b28=4.91; b29=2.94; b30=1.2." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "fe_co@3.3V", "n_groups": 49, "median_sd": 2.649957, "notes": "fe_co interpolated at 3.3 V (non-canonical) [%]. Overall: median SD across 49 (source, target) groups with >=2 replicates (IQR 0.995-5.74; median group mean 21.5). Within batch: 44 groups, median SD 2.61. Median SD by batch: b2=3.18; b3=4.02; b4=0.797; b5=6.77; b8=13.4; b10=0.867; b11=2.58; b13=3.86; b14=2.33; b15=1.65; b20=5.24; b23=4.8; b26=0.697; b27=9; b28=2.19; b29=2.65; b30=0." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "fe_co@3.3V", "n_groups": 87, "median_sd": 2.073592, "notes": "fe_co interpolated at 3.3 V (non-canonical) [%]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 0.809-5.59; median group mean 25). Within batch: 87 groups, median SD 2.07. Median SD by batch: b4=2.2; b5=0.569; b6=1.49; b7=1.03; b8=3.47; b9=1.69; b10=0." }, { "source": "all", "reaction": "CO2RR", "quantity": "fe_co@3.3V", "n_groups": 136, "median_sd": 2.25645, "notes": "fe_co interpolated at 3.3 V (non-canonical) [%]. Overall: median SD across 136 (source, target) groups with >=2 replicates (IQR 0.865-5.68; median group mean 23.8). Within batch: 131 groups, median SD 2.2. Median SD by batch: b2=3.18; b3=4.02; b4=1.79; b5=0.796; b6=1.49; b7=1.03; b8=4.02; b9=1.69; b10=0.433; b11=2.58; b13=3.86; b14=2.33; b15=1.65; b20=5.24; b23=4.8; b26=0.697; b27=9; b28=2.19; b29=2.65; b30=0." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "fe_c2h4@3.3V", "n_groups": 49, "median_sd": 0.000155, "notes": "fe_c2h4 interpolated at 3.3 V (non-canonical) [%]. Overall: median SD across 49 (source, target) groups with >=2 replicates (IQR 0-0.00342; median group mean 0.000404). Within batch: 44 groups, median SD 2.35e-05. Median SD by batch: b2=0; b3=0.137; b4=2.35e-05; b5=0.00473; b8=0; b10=0; b11=0.00343; b13=0; b14=0.000231; b15=0; b20=0.0298; b23=0.00173; b26=0; b27=0; b28=0.0208; b29=0; b30=0.00153." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "fe_c2h4@3.3V", "n_groups": 87, "median_sd": 0.001337, "notes": "fe_c2h4 interpolated at 3.3 V (non-canonical) [%]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 0.000679-0.00564; median group mean 0.00472). Within batch: 87 groups, median SD 0.00134. Median SD by batch: b4=0.00184; b5=0.00097; b6=0.00131; b7=0.00181; b8=0.0013; b9=0.000371; b10=0." }, { "source": "all", "reaction": "CO2RR", "quantity": "fe_c2h4@3.3V", "n_groups": 136, "median_sd": 0.001283, "notes": "fe_c2h4 interpolated at 3.3 V (non-canonical) [%]. Overall: median SD across 136 (source, target) groups with >=2 replicates (IQR 0.000221-0.00424; median group mean 0.00369). Within batch: 131 groups, median SD 0.00121. Median SD by batch: b2=0; b3=0.137; b4=0.00176; b5=0.00123; b6=0.00131; b7=0.00181; b8=0.00127; b9=0.000371; b10=0; b11=0.00343; b13=0; b14=0.000231; b15=0; b20=0.0298; b23=0.00173; b26=0; b27=0; b28=0.0208; b29=0; b30=0.00153." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "rate_h2@3.3V", "n_groups": 49, "median_sd": 150.714087, "notes": "rate_h2 interpolated at 3.3 V (non-canonical) [umol/h/cm2]. Overall: median SD across 49 (source, target) groups with >=2 replicates (IQR 74-252; median group mean 1.25e+03). Within batch: 44 groups, median SD 159. Median SD by batch: b2=383; b3=193; b4=247; b5=82.6; b8=206; b10=257; b11=67.4; b13=147; b14=34.4; b15=239; b20=57.6; b23=156; b26=135; b27=106; b28=134; b29=48; b30=219." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "rate_h2@3.3V", "n_groups": 87, "median_sd": 121.515311, "notes": "rate_h2 interpolated at 3.3 V (non-canonical) [umol/h/cm2]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 63.3-216; median group mean 950). Within batch: 87 groups, median SD 122. Median SD by batch: b4=118; b5=144; b6=206; b7=122; b8=91.2; b9=126; b10=169." }, { "source": "all", "reaction": "CO2RR", "quantity": "rate_h2@3.3V", "n_groups": 136, "median_sd": 135.203992, "notes": "rate_h2 interpolated at 3.3 V (non-canonical) [umol/h/cm2]. Overall: median SD across 136 (source, target) groups with >=2 replicates (IQR 67.4-231; median group mean 1.02e+03). Within batch: 131 groups, median SD 135. Median SD by batch: b2=383; b3=193; b4=128; b5=127; b6=206; b7=122; b8=117; b9=126; b10=213; b11=67.4; b13=147; b14=34.4; b15=239; b20=57.6; b23=156; b26=135; b27=106; b28=134; b29=48; b30=219." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "rate_co@3.3V", "n_groups": 49, "median_sd": 88.092633, "notes": "rate_co interpolated at 3.3 V (non-canonical) [umol/h/cm2]. Overall: median SD across 49 (source, target) groups with >=2 replicates (IQR 37.1-171; median group mean 485). Within batch: 44 groups, median SD 84.5. Median SD by batch: b2=72.7; b3=82.9; b4=42.3; b5=202; b8=244; b10=36.2; b11=266; b13=94; b14=108; b15=67.2; b20=112; b23=122; b26=17; b27=246; b28=100; b29=193; b30=0." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "rate_co@3.3V", "n_groups": 87, "median_sd": 63.787331, "notes": "rate_co interpolated at 3.3 V (non-canonical) [umol/h/cm2]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 24.7-132; median group mean 498). Within batch: 87 groups, median SD 63.8. Median SD by batch: b4=63.3; b5=40.7; b6=77.8; b7=34; b8=78.2; b9=44.2; b10=0." }, { "source": "all", "reaction": "CO2RR", "quantity": "rate_co@3.3V", "n_groups": 136, "median_sd": 73.952776, "notes": "rate_co interpolated at 3.3 V (non-canonical) [umol/h/cm2]. Overall: median SD across 136 (source, target) groups with >=2 replicates (IQR 26.6-158; median group mean 496). Within batch: 131 groups, median SD 72.5. Median SD by batch: b2=72.7; b3=82.9; b4=59.6; b5=74.9; b6=77.8; b7=34; b8=120; b9=44.2; b10=18.1; b11=266; b13=94; b14=108; b15=67.2; b20=112; b23=122; b26=17; b27=246; b28=100; b29=193; b30=0." }, { "source": "vsp", "reaction": "CO2RR", "quantity": "rate_c2h4@3.3V", "n_groups": 49, "median_sd": 0.000302, "notes": "rate_c2h4 interpolated at 3.3 V (non-canonical) [umol/h/cm2]. Overall: median SD across 49 (source, target) groups with >=2 replicates (IQR 0-0.0121; median group mean 0.00208). Within batch: 44 groups, median SD 8.18e-05. Median SD by batch: b2=0; b3=0.655; b4=0.000151; b5=0.0121; b8=0; b10=0; b11=0.0121; b13=0; b14=0.00128; b15=0; b20=0.0798; b23=0.00538; b26=0; b27=0; b28=0.0575; b29=0; b30=0.00504." }, { "source": "uoft", "reaction": "CO2RR", "quantity": "rate_c2h4@3.3V", "n_groups": 87, "median_sd": 0.005367, "notes": "rate_c2h4 interpolated at 3.3 V (non-canonical) [umol/h/cm2]. Overall: median SD across 87 (source, target) groups with >=2 replicates (IQR 0.00254-0.0247; median group mean 0.0143). Within batch: 87 groups, median SD 0.00537. Median SD by batch: b4=0.00679; b5=0.00471; b6=0.00503; b7=0.00563; b8=0.00418; b9=0.00132; b10=0." }, { "source": "all", "reaction": "CO2RR", "quantity": "rate_c2h4@3.3V", "n_groups": 136, "median_sd": 0.004756, "notes": "rate_c2h4 interpolated at 3.3 V (non-canonical) [umol/h/cm2]. Overall: median SD across 136 (source, target) groups with >=2 replicates (IQR 0.00086-0.0146; median group mean 0.0119). Within batch: 131 groups, median SD 0.00432. Median SD by batch: b2=0; b3=0.655; b4=0.00595; b5=0.00478; b6=0.00503; b7=0.00563; b8=0.00398; b9=0.00132; b10=0; b11=0.0121; b13=0; b14=0.00128; b15=0; b20=0.0798; b23=0.00538; b26=0; b27=0; b28=0.0575; b29=0; b30=0.00504." } ], "findings": [ { "id": "F001", "severity": "major", "category": "duplicate", "sample_ids": [ "vsp29_241004_Ag-0.25-Au-0.5-Pd-0.25_pp0_rep1", "vsp29_241004_Ag-0.5-Au-0.25-Pd-0.25_pp0_rep1", "vsp30_250203_Au-0.82-Mn-0.18_pp0_rep2" ], "description": "Three sample ids each label two different physical measurement series: two HER rows and two rows at every CO2RR current density with different values. One of them also has two different XRF rows. Replicate series cannot be paired with their own XRF or HER result. The avg/std rows for these bases pool both series, and the dashboard carries the duplicated keys.", "evidence": "experiments replicate rows: 18 duplicated (sample id, reaction, current density) keys, all in these ids; e.g. vsp29_241004_Ag-0.25-Au-0.5-Pd-0.25_pp0_rep1 CO2R 50 mA/cm2 has voltage 2.84 and 2.86 V, fe_co 21.13 and 25.46. xrf.csv duplicated ids: vsp30_250203_Au-0.82-Mn-0.18_pp0_rep2. dashboard duplicated keys: 18. Query: experiments[rep not in (avg,std)].duplicated(['sample id','reaction','current density']).", "suggested_action": "Give each physical sample its own id (for example the next free _repN) and re-issue the avg/std rows. Until then, leave these ids out of any per-sample target that pairs current densities, HER and XRF (for example the 3.3 V interpolation)." }, { "id": "F002", "severity": "minor", "category": "inconsistent_value", "sample_ids": [ "vsp30_250203_Au-0.65-Mn-0.35_pp0_rep1", "vsp30_250203_Au-0.79-Mn-0.21_pp0_rep1", "vsp30_250203_Au-0.82-Mn-0.18_pp0_rep2", "vsp30_250203_Au-0.82-Mn-0.18_pp0_rep3" ], "description": "The `rep` column disagrees with the _repN suffix of the sample id for four vsp30 samples.", "evidence": "23 rows where rep != id suffix: Au-0.65-Mn-0.35 rep1 labelled 2 (5 rows), Au-0.79-Mn-0.21 rep1 labelled 2 (6), Au-0.82-Mn-0.18 rep2 labelled 1 (6) and rep3 labelled 2 (6). Query: rep != sample id.extract('_rep(\\d+)$').", "suggested_action": "Correct the rep labels (or ids) in batch 30. Use the id suffix as the authority, since XRF is keyed by id." }, { "id": "F003", "severity": "minor", "category": "missing_data", "sample_ids": [ "vsp30_250203_Au-0.64-Mn-0.36_pp0", "vsp30_250203_Au-0.65-Mn-0.35_pp0", "vsp30_250203_Au-0.67-Mn-0.33_pp0", "vsp30_250203_Au-0.69-Mn-0.31_pp0", "vsp30_250203_Au-0.73-Mn-0.27_pp0", "vsp30_250203_Au-0.75-Mn-0.25_pp0", "vsp30_250203_Au-0.77-Mn-0.23_pp0", "vsp30_250203_Au-0.78-Mn-0.22_pp0", "vsp30_250203_Au-0.79-Mn-0.21_pp0", "vsp30_250203_Au-0.8-Mn-0.2_pp0", "vsp30_250203_Au-0.82-Mn-0.18_pp0", "vsp30_250203_Au-0.83-Mn-0.17_pp0", "vsp30_250203_Au-0.84-Mn-0.16_pp0", "vsp30_250203_Au-0.85-Mn-0.15_pp0", "vsp31_250204_Au-0.47-Cu-0.26-Mn-0.26_pp0", "vsp31_250204_Au-0.49-Cu-0.25-Mn-0.27_pp0", "vsp31_250204_Au-0.49-Cu-0.27-Mn-0.24_pp0", "vsp31_250204_Au-0.5-Cu-0.25-Mn-0.25_pp0", "vsp31_250204_Au-0.51-Cu-0.23-Mn-0.25_pp0", "vsp31_250204_Au-0.51-Cu-0.26-Mn-0.23_pp0", "vsp31_250204_Au-0.52-Cu-0.24-Mn-0.24_pp0", "vsp31_250204_Au-0.64-Cu-0.18-Mn-0.18_pp0", "vsp31_250204_Au-0.66-Cu-0.16-Mn-0.18_pp0", "vsp31_250204_Au-0.66-Cu-0.18-Mn-0.16_pp0", "vsp31_250204_Au-0.67-Cu-0.17-Mn-0.17_pp0", "vsp31_250204_Au-0.68-Cu-0.15-Mn-0.17_pp0", "vsp31_250204_Au-0.68-Cu-0.17-Mn-0.15_pp0", "vsp31_250204_Au-0.69-Cu-0.16-Mn-0.15_pp0", "vsp32_250213_Mo-0.23-Nb-0.26-W-0.51_pp0", "vsp32_250213_Mo-0.24-Nb-0.27-W-0.49_pp0", "vsp32_250213_Mo-0.25-Nb-0.25-W-0.5_pp0", "vsp32_250213_Mo-0.26-Nb-0.23-W-0.51_pp0", "vsp32_250213_Mo-0.26-Nb-0.26-W-0.47_pp0", "vsp32_250213_Mo-0.27-Nb-0.24-W-0.49_pp0", "vsp33_250214_Mo-0.23-W-0.77_pp0", "vsp33_250214_Mo-0.25-W-0.75_pp0", "vsp33_250214_Mo-0.27-W-0.73_pp0" ], "description": "Replicate groups in the 2025 batches vsp30-vsp33 have no avg/std summary rows, unlike every other batch. Any consumer that reads only the avg rows silently loses them.", "evidence": "177 (base, reaction, current density) replicate groups across 37 bases have no avg row; avg rows exist for 1692 groups. Every existing avg row equals the replicate mean (max |diff| voltage 0.007 V, FE 4.0e-08; 0 cells off by >0.011).", "suggested_action": "Generate avg/std rows for vsp30-33, or drop summary rows from the release and let users aggregate." }, { "id": "F004", "severity": "note", "category": "documentation", "sample_ids": [], "description": "std summary rows use the sample standard deviation (ddof=1) for n>=2, but report 0 rather than missing when a group has a single replicate. A zero SD reads as perfect reproducibility.", "evidence": "774 groups with n>=2: std voltage matches ddof=1 SD in 774. 918 single-replicate groups: std voltage = 0 in 918.", "suggested_action": "Write NaN (or omit) the std row when n=1, and document ddof=1." }, { "id": "F005", "severity": "minor", "category": "inconsistent_value", "sample_ids": [], "description": "HER std rows carry the CO2RR product columns, set to 0, while the HER replicate and avg rows leave them empty.", "evidence": "HER std rows with non-null product columns: 282 (all values 0). HER replicate rows with product values: 0; HER avg rows: 0. CO2R replicate rows with any missing FE column: 0.", "suggested_action": "Leave product columns empty on every HER row." }, { "id": "F006", "severity": "major", "category": "documentation", "sample_ids": [], "description": "`fe_liquid` is not a measured quantity. It is the electron balance max(0, 100 - fe_gas_total), so it cannot be used to check Faradaic closure and it silently absorbs gas-side errors. A failed gas measurement shows up as roughly 100% liquid.", "evidence": "In 2735/2760 CO2R replicate rows fe_liquid equals max(0, 100 - fe_gas_total) to 1e-6. The rest are the 25 rows with negative fe_liquid (where the balance was not clipped).", "suggested_action": "Rename it (e.g. fe_unaccounted) or publish measured liquid products separately, and state in the data dictionary that it is computed." }, { "id": "F007", "severity": "major", "category": "inconsistent_value", "sample_ids": [ "uoft4_240405_Ag-0.222-Cu-0.333-Pd-0.444_pp0_rep3", "uoft4_240405_Ag-0.25-Au-0.25-Pd-0.5_pp0_rep1", "uoft4_240405_Ag-0.25-Au-0.25-Pd-0.5_pp0_rep2", "uoft4_240405_Ag-0.429-Pd-0.571_pp0_rep3", "uoft4_240405_Ag-0.625-Pd-0.375_pp0_rep1", "uoft4_240405_Ag-0.667-Pd-0.333_pp0_rep1", "uoft4_240405_Au-0.25-Cu-0.75_pp0_rep3", "uoft4_240405_Au-0.429-Cu-0.571_pp0_rep3", "uoft4_240405_Cu-0.375-Pd-0.625_pp0_rep3", "uoft7_240716_Au-0.556-Pd-0.444_pp0_rep3", "uoft7_240716_Au-0.667-Pd-0.333_pp0_rep1", "uoft9_241025_Au-0.75-Pd-0.25_pp0_rep1", "vsp10_240726_Au-0.333-Zn-0.667_pp0_rep1", "vsp10_240726_Au-0.6-Zn-0.4_pp0_rep1", "vsp11_240802_Ag-0.462-Zn-0.538_pp0_rep1", "vsp11_240802_Ag-0.5-Zn-0.5_pp0_rep1", "vsp11_240802_Ag-0.667-Zn-0.333_pp0_rep1", "vsp11_240802_Ag-0.833-Zn-0.167_pp0_rep1", "vsp20_241011_Ag-0.8-Cu-0.2_pp0_rep1", "vsp23_241025_Ag-0.75-Ga-0.25_pp0_rep2", "vsp27_241030_Au-0.167-Ga-0.667-Pd-0.167_pp0_rep2", "vsp29_241004_Ag-0.25-Au-0.5-Pd-0.25_pp0_rep1", "vsp29_241004_Ag-0.25-Au-0.5-Pd-0.25_pp0_rep2", "vsp3_240718_Au-0.556-Cu-0.444_pp0_rep1", "vsp3_240718_Au-0.667-Cu-0.333_pp0_rep2", "vsp3_240718_Au-0.75-Cu-0.25_pp0_rep1" ], "description": "The Faradaic efficiency of gas products alone exceeds 100% in a number of CO2RR points, which is physically impossible. In the same release the convention is applied inconsistently: some rows carry a negative fe_liquid and others clip it to 0. fe_h2 alone exceeds 100% in three rows.", "evidence": "55 CO2R replicate rows with fe_gas_total > 100 (max 114.4%), in 26 samples. 25 have negative fe_liquid (min -14.37; batches uoft4/uoft7) and 30 have fe_liquid clipped to 0 (batches uoft9/vsp10/vsp11/vsp20/vsp23/vsp27/vsp29/vsp3). fe_h2 > 100 in 3 rows: uoft4_240405_Au-0.429-Cu-0.571_pp0_rep3 @300, uoft4_240405_Cu-0.375-Pd-0.625_pp0_rep3 @300, uoft9_241025_Au-0.75-Pd-0.25_pp0_rep1 @100. 13 rows exceed 110%. Full list: tables/gas_total_over_100.csv.", "suggested_action": "Check gas-flow and GC calibration for these runs. Pick one convention: report the raw total and flag the row. Treat points above 110% as failed measurements." }, { "id": "F008", "severity": "note", "category": "inconsistent_value", "sample_ids": [], "description": "fe_gas_total is slightly larger than fe_h2+fe_co+fe_ch4+fe_c2h4 in many rows. This suggests an unlisted gas product (or rounding before summation). It is never smaller.", "evidence": "547 CO2R replicate rows with |fe_gas_total - sum of 4 gases| > 0.01; differences range 0.010 to 0.292 percentage points (always the total being larger). Most are in uoft4 (219).", "suggested_action": "List every gas product that enters fe_gas_total, or publish it as a column." }, { "id": "F009", "severity": "major", "category": "missing_data", "sample_ids": [ "uoft8_241025_Cd-0.875-Ni-0.125_pp0_rep3" ], "description": "One replicate is a failed run. Voltage is missing at every current density and the gas FE is about 0.1%, so fe_liquid shows about 99.9% as a balance artefact. Its FE values are averaged into the published avg row of the base sample, dragging it down. The dashboard drops this replicate (correctly) but keeps the contaminated avg.", "evidence": "6 rows with voltage NaN, all uoft8_241025_Cd-0.875-Ni-0.125_pp0_rep3; fe_gas_total 0.020-0.124%. avg row at 100 mA/cm2 has fe_co 36.3 vs 54.4 from the two valid replicates. dashboard dropped 6 rows, all from uoft8_241025_Cd-0.875-Ni-0.125_pp0_rep3.", "suggested_action": "Remove the replicate from the release (or flag it) and recompute the base sample's avg/std rows." }, { "id": "F010", "severity": "minor", "category": "inconsistent_value", "sample_ids": [ "uoft4_240405_Ag-1.0_pp0_rep3", "uoft4_240405_Au-0.8-Cu-0.2_pp0_rep1", "uoft4_240405_Cu-0.111-Pd-0.889_pp0_rep1", "uoft4_240405_Cu-0.375-Pd-0.625_pp0_rep2", "uoft4_240405_Cu-0.5-Pd-0.5_pp0_rep1", "uoft4_240405_Rh-1.0_pp0_rep1", "vsp30_250203_Au-0.67-Mn-0.33_pp0_rep1" ], "description": "In several CO2RR series the full-cell voltage falls by more than 0.05 V as current density increases, which suggests a transient or a logging error at one point. These points also make a voltage-interpolated target (3.3 V) ambiguous.", "evidence": "7 series with a voltage drop >0.05 V between consecutive current densities (tables/nonmonotonic_voltage_series.csv); e.g. uoft4_240405_Au-0.8-Cu-0.2_pp0_rep1 4.38 V at 100 then 3.80 V at 150 mA/cm2 (that target's within-batch voltage SD at 100 mA/cm2 is 0.60 V). Replicate voltages otherwise lie in plausible ranges: HER 2.14-3.28 V, CO2R 2.28-4.38 V, no negative FE in gas columns (0).", "suggested_action": "Re-check the raw potentiostat logs for these points. Interpolating targets should use the first bracketing interval and note the ambiguity." }, { "id": "F011", "severity": "blocking", "category": "composition_mismatch", "sample_ids": [ "vsp7_241025_Zn-1.0_pp0_rep1" ], "description": "The sample labelled pure Zn in vsp7 is about 95% Cu by XRF, and it behaves like Cu (it makes ethylene and methane). The published XRF formula reads 'Zn-1.0' only because the formula string is renormalised over the target's elements.", "evidence": "xrf-wafer means Cu 0.947, Zn 0.053; xrf-gde Cu 0.904. CO2R at 100 mA/cm2: fe_c2h4 5.87%, fe_ch4 1.82% vs 0.008% / 0.11% for the other Zn-1.0 sample (vsp11) and 3.5-15% C2H4 for Cu-1.0 samples.", "suggested_action": "Exclude it from modelling as Zn. Check whether the film or its label was swapped with a Cu sample in batch 7." }, { "id": "F012", "severity": "major", "category": "composition_mismatch", "sample_ids": [ "uoft4_240405_Ag-0.889-Cu-0.111_pp0_rep1", "uoft4_240405_Au-0.333-Tl-0.667_pp0_rep1", "uoft4_240405_Au-0.6-Cu-0.4_pp0_rep1", "uoft4_240405_Au-0.8-Cu-0.2_pp0_rep1", "uoft4_240405_Cu-0.556-Pd-0.444_pp0_rep1", "uoft4_240405_Rh-1.0_pp0_rep1", "uoft5_240507_Au-0.75-Cd-0.125-Ga-0.125_pp0_rep1", "uoft5_240507_Cd-0.111-In-0.889_pp0_rep1", "uoft6_240624_Au-0.7-Cd-0.3_pp0_rep1", "uoft6_240624_Au-0.833-Cd-0.167_pp0_rep1", "uoft6_240624_Au-0.889-Cd-0.111_pp0_rep1", "uoft7_240716_Ag-0.1-Au-0.5-Pd-0.4_pp0_rep1", "uoft7_240716_Au-0.667-Pd-0.333_pp0_rep1", "uoft8_241025_Au-0.333-Pd-0.667_pp0_rep1", "uoft9_241025_Au-0.375-Pd-0.625_pp0_rep1", "vsp3_240718_Au-1.0_pp0_rep1" ], "description": "The XRF `*_formula` strings (and hence the dashboard's `xrf composition` and element columns) are the per-element means renormalised over the target's own elements. They hide non-target metal signal, which in some samples is large enough to change the material.", "evidence": "All 1384 formula strings equal the target-element means renormalised to sum 1 (to 0.01); 421 formula entries differ from the raw *_mean column by >0.0015 for this reason. Samples with non-target metal fraction > 0.15: uoft6_240624_Au-0.833-Cd-0.167_pp0_rep1 (wafer: Cu=0.223;Pd=0.085;Sn=0.059); uoft6_240624_Au-0.889-Cd-0.111_pp0_rep1 (wafer: Cu=0.098;Pd=0.092;Sn=0.064); uoft7_240716_Au-0.667-Pd-0.333_pp0_rep1 (wafer: Ag=0.080;Cu=0.076;Rh=0.040;Ru=0.039); uoft9_241025_Au-0.375-Pd-0.625_pp0_rep1 (wafer: Cu=0.144;Cd=0.047;Ag=0.043); vsp3_240718_Au-1.0_pp0_rep1 (gde: Cu=0.208); uoft4_240405_Au-0.8-Cu-0.2_pp0_rep1 (wafer: Ag=0.077;Pd=0.045;Ru=0.042;Tl=0.028); uoft8_241025_Au-0.333-Pd-0.667_pp0_rep1 (wafer: Cu=0.115;Cd=0.065;Hg=0.012); uoft5_240507_Cd-0.111-In-0.889_pp0_rep1 (wafer: Sn=0.046;Ag=0.037;Pd=0.028;Ru=0.027;Cu=0.017;Tl=0.013); uoft4_240405_Au-0.6-Cu-0.4_pp0_rep1 (wafer: Ag=0.072;Ru=0.036;Tl=0.033;Rh=0.032;Ir=0.013;Pd=0.011); uoft4_240405_Cu-0.556-Pd-0.444_pp0_rep1 (wafer: Ag=0.093;Rh=0.036;Ru=0.035;Tl=0.018); uoft4_240405_Rh-1.0_pp0_rep1 (wafer: Ag=0.082;Tl=0.062;Ru=0.025;Ir=0.011); uoft5_240507_Au-0.75-Cd-0.125-Ga-0.125_pp0_rep1 (wafer: Ru=0.041;Pd=0.033;Ag=0.027;Sn=0.014;Cu=0.013;Tl=0.012;Ni=0.011). Median non-target fraction: uoft wafer 0.048, vsp wafer 0.000. Table: composition_target_vs_xrf_by_sample.csv.", "suggested_action": "Publish the non-target fraction next to each formula. Review the samples listed here before using their XRF composition as a model input." }, { "id": "F013", "severity": "minor", "category": "composition_mismatch", "sample_ids": [ "vsp13_240823_Ag-0.125-Au-0.125-Zn-0.75_pp0_rep3", "vsp13_240823_Ag-0.2-Au-0.4-Zn-0.4_pp0_rep1", "vsp13_240823_Ag-0.25-Au-0.25-Zn-0.5_pp0_rep3", "vsp13_240823_Ag-0.25-Au-0.5-Zn-0.25_pp0_rep2", "vsp13_240823_Ag-0.25-Au-0.5-Zn-0.25_pp0_rep3", "vsp13_240823_Ag-0.417-Au-0.167-Zn-0.417_pp0_rep1", "vsp13_240823_Ag-0.5-Au-0.083-Zn-0.417_pp0_rep1", "vsp13_240823_Ag-0.5-Au-0.25-Zn-0.25_pp0_rep2", "vsp13_240823_Ag-0.5-Au-0.25-Zn-0.25_pp0_rep3", "vsp13_240823_Ag-0.625-Au-0.125-Zn-0.25_pp0_rep1", "vsp14_240906_Au-0.25-Cu-0.5-Zn-0.25_pp0_rep1", "vsp14_240906_Au-0.25-Cu-0.5-Zn-0.25_pp0_rep2", "vsp14_240906_Au-0.25-Cu-0.5-Zn-0.25_pp0_rep3", "vsp14_240906_Au-0.429-Cu-0.429-Zn-0.143_pp0_rep1", "vsp14_240906_Au-0.5-Cu-0.25-Zn-0.25_pp0_rep1", "vsp14_240906_Au-0.5-Cu-0.25-Zn-0.25_pp0_rep2", "vsp14_240906_Au-0.571-Cu-0.286-Zn-0.143_pp0_rep1", "vsp14_240906_Au-0.667-Cu-0.111-Zn-0.222_pp0_rep1", "vsp15_240809_Au-0.167-In-0.167-Pd-0.667_pp0_rep1", "vsp20_241011_Ag-0.125-Au-0.75-Cu-0.125_pp0_rep1", "vsp26_241004_Au-0.333-Ga-0.667_pp0_rep1", "vsp26_241004_Au-0.333-Ga-0.667_pp0_rep2", "vsp28_240927_Au-0.25-Cu-0.5-Pd-0.25_pp0_rep1", "vsp28_240927_Au-0.4-Cu-0.5-Pd-0.1_pp0_rep1", "vsp28_240927_Au-0.429-Cu-0.286-Pd-0.286_pp0_rep1", "vsp31_250204_Au-0.64-Cu-0.18-Mn-0.18_pp0_rep1", "vsp32_250213_Mo-0.24-Nb-0.27-W-0.49_pp0_rep1", "vsp4_240726_Pd-0.75-Sn-0.25_pp0_rep1", "vsp5_241011_Ag-0.2-Pd-0.8_pp0_rep1", "vsp5_241011_Ag-0.25-Pd-0.75_pp0_rep1", "vsp8_240802_Pd-0.571-Zn-0.429_pp0_rep1", "vsp8_240802_Pd-0.625-Zn-0.375_pp0_rep1", "vsp8_240802_Pd-0.7-Zn-0.3_pp0_rep1", "vsp8_240802_Pd-0.75-Zn-0.25_pp0_rep2", "vsp8_240802_Pd-0.75-Zn-0.25_pp0_rep3" ], "description": "Measured composition departs from the synthesis target far more for vsp than for uoft, and the departure is systematic by element. Models trained on target composition inherit this.", "evidence": "Median half-L1 distance target vs XRF (renormalised to target elements): vsp wafer 0.121, vsp gde 0.123, uoft wafer 0.053. vsp wafer mean signed bias (XRF - target): Ag +0.042 (n=92), Au -0.058 (n=171), Cu -0.077 (n=68), Ga -0.008 (n=34), In +0.111 (n=16), Mn +0.167 (n=33), Mo +0.223 (n=11), Nb -0.149 (n=6), Pd -0.119 (n=82), Sn +0.162 (n=14), W -0.141 (n=11), Zn +0.136 (n=87). 40 sample-measurements with distance > 0.3 (largest: vsp14_240906_Au-0.667-Cu-0.111-Zn-0.222_pp0_rep1 wafer 0.61, vsp13_240823_Ag-0.5-Au-0.25-Zn-0.25_pp0_rep3 gde 0.49, vsp8_240802_Pd-0.75-Zn-0.25_pp0_rep3 wafer 0.48, vsp13_240823_Ag-0.5-Au-0.25-Zn-0.25_pp0_rep2 gde 0.47, vsp14_240906_Au-0.667-Cu-0.111-Zn-0.222_pp0_rep1 gde 0.45).", "suggested_action": "Model on measured (XRF) composition, or carry both. Report per-element calibration for the vsp printer (Zn, Mn, Mo, Sn, In enriched; Pd, Nb, W, Cu depleted)." }, { "id": "F014", "severity": "minor", "category": "composition_mismatch", "sample_ids": [ "uoft5_240507_Ag-0.4-Au-0.4-Tl-0.2_pp0_rep1", "uoft5_240507_Au-0.125-Pd-0.625-Tl-0.25_pp0_rep1", "uoft5_240507_Au-0.444-Cd-0.556_pp0_rep1", "uoft5_240507_Au-0.5-Cd-0.25-Tl-0.25_pp0_rep1", "uoft5_240507_Au-0.5-Cu-0.4-Hg-0.1_pp0_rep1", "uoft5_240507_Au-0.75-Cd-0.125-Ga-0.125_pp0_rep1", "uoft5_240507_Cd-0.111-In-0.889_pp0_rep1", "uoft5_240507_Cd-0.5-Ga-0.25-In-0.25_pp0_rep1" ], "description": "xrf.csv contains elements that never appear in any target, all in uoft batches: Ir and Ru at low levels (consistent with a fixed uoft element panel and its background), and in eight uoft5 rows substrate signal (Si, O) plus Fe, Cr, Co and Pb. Some means are negative. Pt is a target element but has no XRF column at all.", "evidence": "Co: 8 rows, max 0.004, uoft5; Cr: 8 rows, max 0.003, uoft5; Fe: 8 rows, max 0.005, uoft5; Ir: 34 rows, max 0.014, uoft4; O: 8 rows, max 0.142, uoft5; Pb: 8 rows, max 0.002, uoft5; Ru: 79 rows, max 0.204, uoft4;uoft5;uoft7; Si: 8 rows, max 0.999, uoft5. Negative *_mean values: 277. Tested samples with wafer Si mean > 0.5 (substrate-dominated): 8. Target elements with no XRF column: Pt.", "suggested_action": "Document the uoft panel and the background level, clip or flag negative means, and add Pt (or say it was not measured)." }, { "id": "F015", "severity": "minor", "category": "missing_data", "sample_ids": [ "uoft10_241125_Pt-1.0_pp0_rep1", "uoft10_241125_Pt-1.0_pp0_rep2", "uoft4_240405_Ag-0.125-Cu-0.125-Pd-0.75_pp0_rep2", "uoft4_240405_Ag-0.125-Cu-0.125-Pd-0.75_pp0_rep3", "uoft4_240405_Ag-0.2-Pd-0.8_pp0_rep2", "uoft4_240405_Ag-0.2-Pd-0.8_pp0_rep3", "uoft4_240405_Ag-0.222-Cu-0.333-Pd-0.444_pp0_rep2", "uoft4_240405_Ag-0.222-Cu-0.333-Pd-0.444_pp0_rep3", "uoft4_240405_Ag-0.25-Au-0.25-Pd-0.5_pp0_rep2", "uoft4_240405_Ag-0.25-Au-0.25-Pd-0.5_pp0_rep3", "uoft4_240405_Ag-0.333-Pd-0.667_pp0_rep2", "uoft4_240405_Ag-0.333-Pd-0.667_pp0_rep3", "uoft4_240405_Ag-0.4-Pd-0.6_pp0_rep2", "uoft4_240405_Ag-0.4-Pd-0.6_pp0_rep3", "uoft4_240405_Ag-0.429-Pd-0.571_pp0_rep2", "uoft4_240405_Ag-0.429-Pd-0.571_pp0_rep3", "uoft4_240405_Ag-0.444-Pd-0.556_pp0_rep2", "uoft4_240405_Ag-0.444-Pd-0.556_pp0_rep3", "uoft4_240405_Ag-0.5-Cu-0.25-Pd-0.25_pp0_rep2", "uoft4_240405_Ag-0.5-Pd-0.5_pp0_rep2", "uoft4_240405_Ag-0.5-Pd-0.5_pp0_rep3", "uoft4_240405_Ag-0.556-Pd-0.444_pp0_rep2", "uoft4_240405_Ag-0.556-Pd-0.444_pp0_rep3", "uoft4_240405_Ag-0.625-Pd-0.375_pp0_rep2", "uoft4_240405_Ag-0.625-Pd-0.375_pp0_rep3", "uoft4_240405_Ag-0.667-Pd-0.333_pp0_rep2", "uoft4_240405_Ag-0.667-Pd-0.333_pp0_rep3", "uoft4_240405_Ag-0.75-Pd-0.25_pp0_rep2", "uoft4_240405_Ag-0.75-Pd-0.25_pp0_rep3", "uoft4_240405_Ag-0.833-Cu-0.167_pp0_rep2", "uoft4_240405_Ag-0.833-Pd-0.167_pp0_rep2", "uoft4_240405_Ag-0.833-Pd-0.167_pp0_rep3", "uoft4_240405_Ag-0.889-Hg-0.111_pp0_rep2", "uoft4_240405_Ag-0.889-Hg-0.111_pp0_rep3", "uoft4_240405_Ag-1.0_pp0_rep2", "uoft4_240405_Ag-1.0_pp0_rep3", "uoft4_240405_Au-0.2-Cu-0.8_pp0_rep2", "uoft4_240405_Au-0.2-Cu-0.8_pp0_rep3", "uoft4_240405_Au-0.25-Cu-0.75_pp0_rep2", "uoft4_240405_Au-0.25-Cu-0.75_pp0_rep3", "uoft4_240405_Au-0.333-Tl-0.667_pp0_rep2", "uoft4_240405_Au-0.333-Tl-0.667_pp0_rep3", "uoft4_240405_Au-0.429-Cu-0.571_pp0_rep2", "uoft4_240405_Au-0.429-Cu-0.571_pp0_rep3", "uoft4_240405_Au-0.5-Cu-0.5_pp0_rep2", "uoft4_240405_Au-0.5-Cu-0.5_pp0_rep3", "uoft4_240405_Au-0.556-Cu-0.444_pp0_rep2", "uoft4_240405_Au-0.6-Cu-0.4_pp0_rep2", "uoft4_240405_Au-0.75-Cu-0.25_pp0_rep2", "uoft4_240405_Au-0.75-Cu-0.25_pp0_rep3", "uoft4_240405_Au-0.8-Cu-0.2_pp0_rep2", "uoft4_240405_Au-0.8-Cu-0.2_pp0_rep3", "uoft4_240405_Cu-0.111-Pd-0.889_pp0_rep2", "uoft4_240405_Cu-0.111-Pd-0.889_pp0_rep3", "uoft4_240405_Cu-0.125-Pd-0.875_pp0_rep2", "uoft4_240405_Cu-0.125-Pd-0.875_pp0_rep3", "uoft4_240405_Cu-0.167-Pd-0.833_pp0_rep2", "uoft4_240405_Cu-0.167-Pd-0.833_pp0_rep3", "uoft4_240405_Cu-0.25-Pd-0.75_pp0_rep2", "uoft4_240405_Cu-0.25-Pd-0.75_pp0_rep3", "uoft4_240405_Cu-0.333-Pd-0.667_pp0_rep2", "uoft4_240405_Cu-0.375-Pd-0.625_pp0_rep2", "uoft4_240405_Cu-0.375-Pd-0.625_pp0_rep3", "uoft4_240405_Cu-0.444-Pd-0.556_pp0_rep2", "uoft4_240405_Cu-0.444-Pd-0.556_pp0_rep3", "uoft4_240405_Cu-0.5-Pd-0.5_pp0_rep2", "uoft4_240405_Cu-0.5-Pd-0.5_pp0_rep3", "uoft4_240405_Cu-0.556-Pd-0.444_pp0_rep2", "uoft4_240405_Cu-0.556-Pd-0.444_pp0_rep3", "uoft4_240405_Cu-0.75-Pd-0.25_pp0_rep2", "uoft4_240405_Cu-0.75-Pd-0.25_pp0_rep3", "uoft4_240405_Cu-0.8-Pd-0.2_pp0_rep2", "uoft4_240405_Cu-0.8-Pd-0.2_pp0_rep3", "uoft4_240405_Cu-1.0_pp0_rep2", "uoft4_240405_Cu-1.0_pp0_rep3", "uoft4_240405_Hg-0.5-Pd-0.5_pp0_rep2", "uoft4_240405_Hg-0.5-Pd-0.5_pp0_rep3", "uoft4_240405_Pd-0.333-Tl-0.667_pp0_rep2", "uoft4_240405_Pd-0.333-Tl-0.667_pp0_rep3", "uoft4_240405_Pd-0.591-Tl-0.409_pp0_rep2", "uoft4_240405_Pd-0.591-Tl-0.409_pp0_rep3", "uoft4_240405_Pd-0.75-Tl-0.25_pp0_rep2", "uoft4_240405_Pd-0.75-Tl-0.25_pp0_rep3", "uoft4_240405_Pd-1.0_pp0_rep2", "uoft4_240405_Pd-1.0_pp0_rep3", "uoft5_240507_Ag-0.4-Au-0.4-Tl-0.2_pp0_rep2", "uoft5_240507_Au-0.125-Pd-0.625-Tl-0.25_pp0_rep2", "uoft5_240507_Au-0.125-Pd-0.625-Tl-0.25_pp0_rep3", "uoft5_240507_Au-0.444-Cd-0.556_pp0_rep2", "uoft5_240507_Au-0.5-Cd-0.25-Tl-0.25_pp0_rep2", "uoft5_240507_Au-0.5-Cd-0.25-Tl-0.25_pp0_rep3", "uoft5_240507_Au-0.5-Cu-0.4-Hg-0.1_pp0_rep2", "uoft5_240507_Au-0.75-Cd-0.125-Ga-0.125_pp0_rep2", "uoft5_240507_Au-0.75-Cd-0.125-Ga-0.125_pp0_rep3", "uoft5_240507_Cd-0.111-In-0.889_pp0_rep2", "uoft5_240507_Cd-0.111-In-0.889_pp0_rep3", "uoft5_240507_Cd-0.5-Ga-0.25-In-0.25_pp0_rep2", "uoft5_240507_Cd-0.5-Ga-0.25-In-0.25_pp0_rep3", "uoft6_240624_Ag-0.125-Au-0.125-Cd-0.75_pp0_rep2", "uoft6_240624_Ag-0.417-Cd-0.583_pp0_rep2", "uoft6_240624_Ag-0.714-Cd-0.286_pp0_rep2", "uoft6_240624_Ag-0.714-Cd-0.286_pp0_rep3", "uoft6_240624_Au-0.8-Cd-0.2_pp0_rep2", "uoft6_240624_Au-0.8-Cd-0.2_pp0_rep3", "uoft6_240624_Au-0.889-Cd-0.111_pp0_rep2", "uoft6_240624_Au-0.889-Cd-0.111_pp0_rep3", "uoft6_240624_Cd-0.667-Tl-0.333_pp0_rep2", "uoft6_240624_Cd-0.667-Tl-0.333_pp0_rep3", "uoft7_240716_Ag-0.1-Au-0.5-Pd-0.4_pp0_rep2", "uoft7_240716_Ag-0.1-Au-0.5-Pd-0.4_pp0_rep3", "uoft7_240716_Au-0.556-Pd-0.444_pp0_rep2", "uoft7_240716_Au-0.556-Pd-0.444_pp0_rep3", "uoft7_240716_Au-0.667-Pd-0.333_pp0_rep2", "uoft7_240716_Au-0.667-Pd-0.333_pp0_rep3", "uoft7_240716_Cu-0.667-Rh-0.333_pp0_rep2", "uoft7_240716_Cu-0.667-Rh-0.333_pp0_rep3", "uoft7_240716_Cu-0.833-Pd-0.167_pp0_rep2", "uoft7_240716_Cu-0.833-Pd-0.167_pp0_rep3", "uoft7_240716_Cu-0.875-Pd-0.125_pp0_rep2", "uoft7_240716_Cu-0.875-Pd-0.125_pp0_rep3", "uoft7_240716_Pd-0.833-Rh-0.167_pp0_rep2", "uoft7_240716_Pd-0.833-Rh-0.167_pp0_rep3", "uoft8_241025_Ag-0.25-Cd-0.5-Pd-0.25_pp0_rep2", "uoft8_241025_Ag-0.25-Cd-0.5-Pd-0.25_pp0_rep3", "uoft8_241025_Ag-0.333-Cd-0.667_pp0_rep2", "uoft8_241025_Ag-0.5-Cd-0.5_pp0_rep2", "uoft8_241025_Ag-0.5-Cd-0.5_pp0_rep3", "uoft8_241025_Ag-0.6-Cd-0.4_pp0_rep2", "uoft8_241025_Ag-0.6-Cd-0.4_pp0_rep3", "uoft8_241025_Ag-0.75-Cd-0.25_pp0_rep2", "uoft8_241025_Ag-0.75-Cd-0.25_pp0_rep3", "uoft8_241025_Au-0.25-Cd-0.5-Pd-0.25_pp0_rep2", "uoft8_241025_Au-0.25-Cd-0.5-Pd-0.25_pp0_rep3", "uoft8_241025_Au-0.333-Pd-0.667_pp0_rep2", "uoft8_241025_Au-0.333-Pd-0.667_pp0_rep3", "uoft8_241025_Au-0.5-Cd-0.25-Cu-0.25_pp0_rep2", "uoft8_241025_Au-0.5-Cd-0.25-Cu-0.25_pp0_rep3", "uoft8_241025_Au-0.5-Cd-0.25-Pd-0.25_pp0_rep2", "uoft8_241025_Au-0.75-Cd-0.25_pp0_rep2", "uoft8_241025_Au-0.75-Cd-0.25_pp0_rep3", "uoft8_241025_Cd-0.667-Pd-0.333_pp0_rep2", "uoft8_241025_Cd-0.667-Pd-0.333_pp0_rep3", "uoft8_241025_Cd-0.75-Pd-0.25_pp0_rep2", "uoft8_241025_Cd-0.75-Pd-0.25_pp0_rep3", "uoft8_241025_Cd-0.875-Ni-0.125_pp0_rep2", "uoft8_241025_Cd-0.875-Ni-0.125_pp0_rep3", "uoft9_241025_Au-0.25-Hg-0.25-Pd-0.5_pp0_rep2", "uoft9_241025_Au-0.25-Hg-0.25-Pd-0.5_pp0_rep3", "uoft9_241025_Au-0.375-Pd-0.625_pp0_rep2", "uoft9_241025_Au-0.375-Pd-0.625_pp0_rep3", "uoft9_241025_Au-0.625-Pd-0.375_pp0_rep2", "uoft9_241025_Au-0.75-Pd-0.25_pp0_rep2", "uoft9_241025_Au-0.75-Pd-0.25_pp0_rep3", "uoft9_241025_Cu-0.667-Pd-0.333_pp0_rep2", "uoft9_241025_Cu-0.667-Pd-0.333_pp0_rep3", "uoft9_241025_Hg-0.2-Pd-0.8_pp0_rep2", "uoft9_241025_Hg-0.2-Pd-0.8_pp0_rep3", "uoft9_241025_Hg-0.333-Pd-0.667_pp0_rep2", "uoft9_241025_Hg-0.333-Pd-0.667_pp0_rep3", "vsp1_240503_Au-1.0_pp0_rep1", "vsp27_241030_Au-0.167-Ga-0.667-Pd-0.167_pp0_rep3" ], "description": "Tested samples without their own XRF row. Almost all have a sibling replicate of the same base with XRF. The release does not say whether XRF was measured once per base by design.", "evidence": "161 tested samples lack an xrf row; 158 have a sibling rep with XRF; no XRF for the base at all: uoft10_241125_Pt-1.0_pp0_rep1, uoft10_241125_Pt-1.0_pp0_rep2, vsp1_240503_Au-1.0_pp0_rep1. By batch: uoft4=83, uoft8=24, uoft7=14, uoft5=13, uoft9=13, uoft6=10, uoft10=2, vsp1=1, vsp27=1. Conversely 458 xrf ids were never tested.", "suggested_action": "State the XRF sampling design (one rep per base?) and add an explicit 'xrf_source_id' column." }, { "id": "F016", "severity": "major", "category": "inconsistent_value", "sample_ids": [ "uoft10_241125_Pt-1.0_pp0_rep1", "uoft10_241125_Pt-1.0_pp0_rep2", "uoft6_240624_Au-0.833-Cd-0.167_pp0_rep2", "vsp1_240503_Au-1.0_pp0_rep1", "vsp27_241030_Au-0.167-Ga-0.667-Pd-0.167_pp0_rep3" ], "description": "The dashboard's `xrf composition` mixes three sources without saying so: the GDE formula when one exists, otherwise the wafer formula, and for samples without XRF a sibling replicate's wafer formula or the target itself. One sample is given another replicate's XRF although it has its own.", "evidence": "Origin of dashboard xrf composition (one row per sample): own GDE 259, own wafer 139, sibling rep's wafer 156, copied from target 4 (uoft10_241125_Pt-1.0_pp0_rep1, uoft10_241125_Pt-1.0_pp0_rep2, vsp1_240503_Au-1.0_pp0_rep1, vsp27_241030_Au-0.167-Ga-0.667-Pd-0.167_pp0_rep3), other 1 (uoft6_240624_Au-0.833-Cd-0.167_pp0_rep2: dashboard Au-0.687-Cd-0.313 = rep1's wafer XRF; its own wafer XRF is Au-0.768-Cd-0.232). GDE chosen in 227/227 samples with both. Element columns match the formula string in every row (0 mismatches) but cover only target elements (18 columns).", "suggested_action": "Add columns that state the XRF measurement (gde/wafer) and the id it came from, leave XRF empty rather than copying the target, and fix the uoft6 Au-0.833-Cd-0.167 rep2 join." }, { "id": "F017", "severity": "major", "category": "batch_effect", "sample_ids": [], "description": "Within element systems printed in more than one batch, batch explains outcome beyond composition for several systems and quantities. Pooling batches without a batch or source term will bias models of these systems.", "evidence": "Nested OLS per element system (composition + quadratic terms vs + batch dummies; tables/batch_within_system_tests.csv), p < 0.001: Au-Cu fe_co@100: uoft4(n=22);uoft9(n=1);vsp3(n=21), F=59.4, p=1.5e-12; Au-Cd fe_h2@100: uoft5(n=2);uoft6(n=9);uoft8(n=3), F=104.8, p=5.8e-07; Au-Cu fe_h2@100: uoft4(n=22);uoft9(n=1);vsp3(n=21), F=19.0, p=1.7e-06; Au-Cd fe_co@100: uoft5(n=2);uoft6(n=9);uoft8(n=3), F=72.9, p=2.8e-06; Ag-Au her_voltage_50: uoft4(n=1);vsp1(n=8), F=170.6, p=4.7e-05; Ag-Au voltage@100: uoft4(n=1);vsp1(n=8), F=142.2, p=7.3e-05; Au-Pd voltage@100: uoft4(n=1);uoft7(n=6);uoft8(n=3);uoft9(n=8), F=15.9, p=1.7e-04; Au-Pd her_voltage_50: uoft4(n=1);uoft7(n=6);uoft8(n=3);uoft9(n=8), F=14.1, p=3.1e-04; Au-Cu voltage@100: uoft4(n=22);uoft9(n=1);vsp3(n=21), F=8.5, p=8.8e-04. 17/48 system-quantity tests have p < 0.05.", "suggested_action": "Carry batch (or at least source) as a covariate or random effect. Re-test Au-Cd, Au-Cu and Au-Pd reference compositions across batches." }, { "id": "F018", "severity": "minor", "category": "batch_effect", "sample_ids": [], "description": "The 20 target compositions measured by both sources disagree systematically: vsp gives lower full-cell voltage, more CO and less H2 than uoft for the same target.", "evidence": "her_voltage_50: median vsp-uoft -0.0917 (Wilcoxon p=0.097, n=20); voltage@100: median vsp-uoft -0.0983 (Wilcoxon p=0.040, n=20); fe_co@100: median vsp-uoft +10.5 (Wilcoxon p=0.030, n=20); fe_h2@100: median vsp-uoft -10.3 (Wilcoxon p=0.012, n=20). Table: batch_cross_source_same_target.csv.", "suggested_action": "Treat source as a covariate. The vsp/uoft composition offsets (finding F013) are one candidate explanation to check against cell or hardware differences." }, { "id": "F019", "severity": "note", "category": "batch_effect", "sample_ids": [], "description": "Across the whole release, batch is largely confounded with element system: most batches print a single system. A composition-only model leaves residuals that differ strongly by batch, but this cannot be separated from chemistry outside the systems in the nested test. There is no meaningful monotonic drift with date.", "evidence": "her_voltage_50: OOF R2 0.34, Kruskal-Wallis of residual on batch p=4.6e-34, Spearman vs date rho=-0.08 (p=0.05); voltage@100: OOF R2 -0.05, Kruskal-Wallis of residual on batch p=6.6e-33, Spearman vs date rho=+0.05 (p=0.29); fe_co@100: OOF R2 0.04, Kruskal-Wallis of residual on batch p=3.2e-35, Spearman vs date rho=+0.06 (p=0.20); fe_h2@100: OOF R2 0.43, Kruskal-Wallis of residual on batch p=3.4e-11, Spearman vs date rho=+0.04 (p=0.36). Grouped-by-system random forest on target composition and source; tables/batch_model_residuals.csv.", "suggested_action": "When evaluating models, hold out batches as well as systems, and do not interpret batch residuals as drift." }, { "id": "F020", "severity": "note", "category": "documentation", "sample_ids": [], "description": "Batch metadata quirks: vsp batch numbers are not chronological, several batches share a date, and some samples were tested for HER only.", "evidence": "vsp batch numbers chronological: False (e.g. vsp10 240726 precedes vsp8 240802). Shared dates: uoft 241025: batches [8, 9]; vsp 240718: batches [2, 3]; vsp 240726: batches [4, 10]; vsp 240802: batches [8, 11]; vsp 241004: batches [26, 29]; vsp 241011: batches [5, 20]; vsp 241025: batches [7, 23]. HER-only samples: 11 (vsp32_250213_Mo-0.23-Nb-0.26-W-0.51_pp0_rep1, vsp32_250213_Mo-0.24-Nb-0.27-W-0.49_pp0_rep1, vsp32_250213_Mo-0.25-Nb-0.25-W-0.5_pp0_rep1 \u2026 (+8 more)); CO2R-only: 0. CO2R series not covering exactly 50/100/150/200/300 once: 0 (all are the reused ids of F001).", "suggested_action": "Document the batch numbering and the HER-only design for vsp32/33." }, { "id": "F021", "severity": "note", "category": "other", "sample_ids": [], "description": "Replicate reproducibility is good overall but varies by batch. Some batches' within-batch replicate SD is more than twice the release median. The comparison with the paper's noise floors (reference.md in the ocx25-data Skill) could not be made because the Skill files were unreadable from this client.", "evidence": "HER V@50 within-batch median SD 0.045 V; batches > 2x: vsp15 0.095 V (n=4). fe_co@100 within-batch median SD 2.06 pts; batches > 2x: vsp13 4.84 (n=4), vsp27 10.00 (n=3). Full table: replicate_reproducibility in this document; group-level SDs in tables/replicate_group_stats.csv.", "suggested_action": "Compare these medians with the published noise floors. Down-weight the noisier batches when fitting." }, { "id": "F022", "severity": "note", "category": "outlier", "sample_ids": [ "uoft4_240405_Ag-0.125-Cu-0.125-Pd-0.75_pp0_rep1", "uoft4_240405_Ag-0.125-Cu-0.125-Pd-0.75_pp0_rep2", "uoft4_240405_Ag-0.125-Cu-0.125-Pd-0.75_pp0_rep3", "uoft4_240405_Ag-0.2-Pd-0.8_pp0_rep1", "uoft4_240405_Ag-0.2-Pd-0.8_pp0_rep2", "uoft4_240405_Ag-0.2-Pd-0.8_pp0_rep3", "uoft4_240405_Ag-0.25-Au-0.25-Pd-0.5_pp0_rep1", "uoft4_240405_Ag-0.25-Au-0.25-Pd-0.5_pp0_rep2", "uoft4_240405_Ag-0.25-Au-0.25-Pd-0.5_pp0_rep3", "uoft4_240405_Ag-0.5-Au-0.5_pp0_rep1", "uoft4_240405_Ag-0.5-Pd-0.5_pp0_rep1", "uoft4_240405_Ag-0.5-Pd-0.5_pp0_rep2", "uoft4_240405_Ag-0.5-Pd-0.5_pp0_rep3", "uoft4_240405_Ag-0.75-Pd-0.25_pp0_rep1", "uoft4_240405_Ag-0.75-Pd-0.25_pp0_rep2", "uoft4_240405_Ag-0.75-Pd-0.25_pp0_rep3", "uoft4_240405_Au-0.75-Cu-0.25_pp0_rep1", "uoft4_240405_Au-0.75-Cu-0.25_pp0_rep2", "uoft4_240405_Au-0.75-Cu-0.25_pp0_rep3", "uoft4_240405_Au-0.8-Cu-0.2_pp0_rep1", "uoft4_240405_Au-0.8-Cu-0.2_pp0_rep2", "uoft4_240405_Au-0.8-Cu-0.2_pp0_rep3", "uoft4_240405_Cu-0.75-Pd-0.25_pp0_rep1", "uoft4_240405_Cu-0.75-Pd-0.25_pp0_rep2", "uoft4_240405_Cu-0.75-Pd-0.25_pp0_rep3", "uoft5_240507_Au-0.125-Pd-0.625-Tl-0.25_pp0_rep1", "uoft5_240507_Au-0.125-Pd-0.625-Tl-0.25_pp0_rep2", "uoft5_240507_Au-0.125-Pd-0.625-Tl-0.25_pp0_rep3", "uoft5_240507_Au-0.5-Cu-0.4-Hg-0.1_pp0_rep1", "uoft5_240507_Au-0.5-Cu-0.4-Hg-0.1_pp0_rep2", "uoft5_240507_Cd-0.5-Ga-0.25-In-0.25_pp0_rep1", "uoft5_240507_Cd-0.5-Ga-0.25-In-0.25_pp0_rep2", "uoft5_240507_Cd-0.5-Ga-0.25-In-0.25_pp0_rep3", "uoft6_240624_Ag-0.125-Au-0.125-Cd-0.75_pp0_rep1", "uoft6_240624_Ag-0.125-Au-0.125-Cd-0.75_pp0_rep2", "uoft6_240624_Au-0.889-Cd-0.111_pp0_rep1", "uoft6_240624_Au-0.889-Cd-0.111_pp0_rep2", "uoft6_240624_Au-0.889-Cd-0.111_pp0_rep3", "uoft6_240624_Cd-0.667-Tl-0.333_pp0_rep1", "uoft6_240624_Cd-0.667-Tl-0.333_pp0_rep2", "uoft6_240624_Cd-0.667-Tl-0.333_pp0_rep3", "uoft7_240716_Cu-0.667-Rh-0.333_pp0_rep1", "uoft7_240716_Cu-0.667-Rh-0.333_pp0_rep2", "uoft7_240716_Cu-0.667-Rh-0.333_pp0_rep3", "uoft8_241025_Au-0.75-Cd-0.25_pp0_rep1", "uoft8_241025_Au-0.75-Cd-0.25_pp0_rep2", "uoft8_241025_Au-0.75-Cd-0.25_pp0_rep3", "uoft9_241025_Au-0.333-Cu-0.667_pp0_rep1", "uoft9_241025_Cu-0.667-Pd-0.333_pp0_rep1", "uoft9_241025_Cu-0.667-Pd-0.333_pp0_rep2", "uoft9_241025_Cu-0.667-Pd-0.333_pp0_rep3", "uoft9_241025_Hg-0.2-Pd-0.8_pp0_rep1", "uoft9_241025_Hg-0.2-Pd-0.8_pp0_rep2", "uoft9_241025_Hg-0.2-Pd-0.8_pp0_rep3", "vsp10_240726_Au-0.4-Zn-0.6_pp0_rep1", "vsp11_240802_Ag-0.833-Zn-0.167_pp0_rep1", "vsp11_240802_Zn-1.0_pp0_rep1", "vsp13_240823_Ag-0.067-Au-0.533-Zn-0.4_pp0_rep1", "vsp13_240823_Ag-0.25-Au-0.625-Zn-0.125_pp0_rep1", "vsp14_240906_Au-0.429-Cu-0.429-Zn-0.143_pp0_rep1", "vsp14_240906_Au-0.571-Cu-0.286-Zn-0.143_pp0_rep1", "vsp15_240809_Au-0.25-In-0.25-Pd-0.5_pp0_rep1", "vsp15_240809_Au-0.25-In-0.25-Pd-0.5_pp0_rep2", "vsp15_240809_Au-0.25-In-0.25-Pd-0.5_pp0_rep3", "vsp1_240503_Ag-0.25-Au-0.75_pp0_rep1", "vsp23_241025_Ag-0.667-Ga-0.333_pp0_rep1", "vsp23_241025_Ag-0.667-Ga-0.333_pp0_rep2", "vsp23_241025_Ag-0.667-Ga-0.333_pp0_rep3", "vsp23_241025_Ag-0.75-Ga-0.25_pp0_rep1", "vsp23_241025_Ag-0.75-Ga-0.25_pp0_rep2", "vsp26_241004_Au-0.333-Ga-0.667_pp0_rep1", "vsp26_241004_Au-0.333-Ga-0.667_pp0_rep2", "vsp26_241004_Au-0.333-Ga-0.667_pp0_rep3", "vsp27_241030_Au-0.167-Ga-0.667-Pd-0.167_pp0_rep1", "vsp27_241030_Au-0.167-Ga-0.667-Pd-0.167_pp0_rep2", "vsp27_241030_Au-0.167-Ga-0.667-Pd-0.167_pp0_rep3", "vsp28_240927_Au-0.125-Cu-0.25-Pd-0.625_pp0_rep1", "vsp28_240927_Au-0.125-Cu-0.25-Pd-0.625_pp0_rep2", "vsp28_240927_Au-0.125-Cu-0.25-Pd-0.625_pp0_rep3", "vsp28_240927_Au-0.4-Cu-0.5-Pd-0.1_pp0_rep1", "vsp28_240927_Au-0.429-Cu-0.286-Pd-0.286_pp0_rep1", "vsp28_240927_Au-0.5-Cu-0.375-Pd-0.125_pp0_rep1", "vsp28_240927_Au-0.5-Cu-0.375-Pd-0.125_pp0_rep2", "vsp28_240927_Au-0.5-Cu-0.375-Pd-0.125_pp0_rep3", "vsp29_241004_Ag-0.167-Au-0.417-Pd-0.417_pp0_rep1", "vsp29_241004_Ag-0.25-Au-0.25-Pd-0.5_pp0_rep1", "vsp29_241004_Ag-0.25-Au-0.25-Pd-0.5_pp0_rep2", "vsp29_241004_Ag-0.25-Au-0.5-Pd-0.25_pp0_rep2", "vsp29_241004_Ag-0.417-Au-0.083-Pd-0.5_pp0_rep1", "vsp3_240718_Au-0.375-Cu-0.625_pp0_rep1", "vsp3_240718_Au-0.875-Cu-0.125_pp0_rep1", "vsp5_241011_Ag-0.75-Pd-0.25_pp0_rep1", "vsp8_240802_Pd-0.75-Zn-0.25_pp0_rep1", "vsp8_240802_Pd-0.75-Zn-0.25_pp0_rep2", "vsp8_240802_Pd-0.75-Zn-0.25_pp0_rep3", "vsp8_240802_Pd-0.833-Zn-0.167_pp0_rep1", "vsp8_240802_Pd-0.889-Zn-0.111_pp0_rep1" ], "description": "Targets whose outcome is far from their nearest same-source neighbours in composition space (|robust z| >= 4.0; data-error samples of the findings above left out). Of 61 flags, 25 are backed by consistent replicates, so no data error is shown and they read as real chemistry. The rest are single replicates or noisy and need a repeat before anyone draws conclusions. None is recommended for exclusion on outlier status alone.", "evidence": "uoft Ag-0.125-Cu-0.125-Pd-0.75 fe_co@100=56 vs neighbours 13 (z=+20.2, n=3, sd=3.57) - replicated; vsp Au-0.167-Ga-0.667-Pd-0.167 her_voltage_50=2.3 vs neighbours 3 (z=-15.4, n=3, sd=0.0721) - replicated; uoft Au-0.75-Cu-0.25 fe_co@100=4.95 vs neighbours 34.1 (z=-13.7, n=3, sd=1.49) - replicated; uoft Hg-0.2-Pd-0.8 fe_co@100=40.4 vs neighbours 12.8 (z=+13.0, n=3, sd=8.94) - unreplicated or noisy; vsp Ag-0.75-Pd-0.25 fe_co@100=65.1 vs neighbours 42 (z=+10.9, n=1, sd=nan) - unreplicated or noisy; vsp Au-0.5-Cu-0.375-Pd-0.125 fe_co@100=23 vs neighbours 45.9 (z=-10.8, n=3, sd=1.05) - replicated; uoft Ag-0.125-Au-0.125-Cd-0.75 fe_h2@100=53.2 vs neighbours 18.8 (z=+9.3, n=2, sd=4.49) - replicated; vsp Au-0.571-Cu-0.286-Zn-0.143 fe_co@100=28.3 vs neighbours 45.9 (z=-8.3, n=1, sd=nan) - unreplicated or noisy; uoft Ag-0.2-Pd-0.8 fe_co@100=30.1 vs neighbours 13 (z=+8.0, n=3, sd=6.92) - unreplicated or noisy; uoft Au-0.889-Cd-0.111 fe_h2@100=31 vs neighbours 56.7 (z=-7.5, n=3, sd=3.45) - replicated. All flags with judgements: tables/outliers_flagged.csv.", "suggested_action": "Re-test the unreplicated flags. Keep the replicated ones and mark them as interesting chemistry rather than errors." } ], "recommended_exclusions": [ { "sample_id": "vsp29_241004_Ag-0.25-Au-0.5-Pd-0.25_pp0_rep1", "reason": "One id labels two different measurement series; cannot pair HER, CO2RR series and XRF to one physical sample until relabelled.", "finding_id": "F001" }, { "sample_id": "vsp29_241004_Ag-0.5-Au-0.25-Pd-0.25_pp0_rep1", "reason": "One id labels two different measurement series; cannot pair HER, CO2RR series and XRF to one physical sample until relabelled.", "finding_id": "F001" }, { "sample_id": "vsp30_250203_Au-0.82-Mn-0.18_pp0_rep2", "reason": "One id labels two different measurement series; cannot pair HER, CO2RR series and XRF to one physical sample until relabelled.", "finding_id": "F001" }, { "sample_id": "uoft8_241025_Cd-0.875-Ni-0.125_pp0_rep3", "reason": "Failed run: voltage missing at every current density, gas FE about 0.1%, fe_liquid is a balance artefact; also recompute the base's avg rows.", "finding_id": "F009" }, { "sample_id": "vsp7_241025_Zn-1.0_pp0_rep1", "reason": "Labelled Zn-1.0 but XRF is about 95% Cu and products show Cu chemistry (C2H4, CH4).", "finding_id": "F011" }, { "sample_id": "uoft4_240405_Ag-0.222-Cu-0.333-Pd-0.444_pp0_rep3", "reason": "CO2RR points with fe_gas_total > 110% (impossible closure) at 150 mA/cm2 (114.4%); exclude those points (or the CO2RR series), HER unaffected.", "finding_id": "F007" }, { "sample_id": "uoft4_240405_Ag-0.25-Au-0.25-Pd-0.5_pp0_rep1", "reason": "CO2RR points with fe_gas_total > 110% (impossible closure) at 150 mA/cm2 (114.3%), 100 mA/cm2 (110.5%), 50 mA/cm2 (112.5%); exclude those points (or the CO2RR series), HER unaffected.", "finding_id": "F007" }, { "sample_id": "uoft4_240405_Ag-0.625-Pd-0.375_pp0_rep1", "reason": "CO2RR points with fe_gas_total > 110% (impossible closure) at 100 mA/cm2 (111.0%), 50 mA/cm2 (113.7%); exclude those points (or the CO2RR series), HER unaffected.", "finding_id": "F007" }, { "sample_id": "uoft4_240405_Ag-0.667-Pd-0.333_pp0_rep1", "reason": "CO2RR points with fe_gas_total > 110% (impossible closure) at 50 mA/cm2 (112.2%); exclude those points (or the CO2RR series), HER unaffected.", "finding_id": "F007" }, { "sample_id": "uoft4_240405_Au-0.429-Cu-0.571_pp0_rep3", "reason": "CO2RR points with fe_gas_total > 110% (impossible closure) at 100 mA/cm2 (110.6%), 50 mA/cm2 (111.9%); exclude those points (or the CO2RR series), HER unaffected.", "finding_id": "F007" }, { "sample_id": "vsp3_240718_Au-0.667-Cu-0.333_pp0_rep2", "reason": "CO2RR points with fe_gas_total > 110% (impossible closure) at 100 mA/cm2 (110.4%); exclude those points (or the CO2RR series), HER unaffected.", "finding_id": "F007" }, { "sample_id": "vsp3_240718_Au-0.75-Cu-0.25_pp0_rep1", "reason": "CO2RR points with fe_gas_total > 110% (impossible closure) at 100 mA/cm2 (112.9%), 50 mA/cm2 (113.5%), 150 mA/cm2 (111.1%); exclude those points (or the CO2RR series), HER unaffected.", "finding_id": "F007" } ], "reproduction": { "command": "python3 -I code/audit.py --inputs --out out", "environment": "Python 3.11.17; pandas 3.0.6; numpy 2.4.6; scipy 1.17.1; scikit-learn 1.9.1 (random_state=0). See code/requirements.txt." } }