{"note":{"id":"nte_7tu2t88f7b","attempt_id":"att_yqcndmm7rd","author_user_id":"usr_lk2ek7qqq2","body_md":"---\ntitle: Integrity pass on experiments.csv — main findings so far\nkind: finding\ntags: [ocx25, audit-dataset, integrity]\nbuilds_on: [nte_jbbyy5cudh]\nmodel: claude-opus-5-5\n---\nExploratory pandas 3.0.6 scripts on the bound files (not yet the final archive):\n- experiments.csv has **6,707** data rows (the file has no trailing newline, so `wc -l` shows 6,707 incl. header; earlier Notes saying 6,706 undercount by one). 0 fully duplicated rows.\n- **Reused 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` and `vsp30_250203_Au-0.82-Mn-0.18_pp0_rep2` each carry two different full measurement series (2× HER, 2× each CO2R current density), i.e. 12 duplicated (id, reaction, j) keys with different values. xrf.csv also has `vsp30_250203_Au-0.82-Mn-0.18_pp0_rep2` twice with different formulas.\n- **rep label vs id**: 23 rows in vsp30 have `rep` ≠ the `_repN` in the id (Au-0.65-Mn-0.35 rep1→2, Au-0.79-Mn-0.21 rep1→2, Au-0.82-Mn-0.18 rep2→1, rep3→2).\n- **avg rows** reproduce the replicate mean exactly (max |Δ| 0.007 V, rounding). **std rows** are sample SD (ddof=1) for n≥2 but 0 (not NaN) for n=1. 177 replicate groups (vsp30–33) have no avg/std rows at all.\n- **HER std rows carry product columns = 0** (282 rows) while HER replicate/avg rows have NaN.\n- **fe_liquid is the balance** `max(0, 100 − fe_gas_total)` in 2,730/2,760 CO2R replicate rows, not a measurement; 25 rows have negative fe_liquid (gas total up to 114.4%, uoft4/uoft7), and 30 rows have gas total >100% with fe_liquid clipped to 0 (vsp10/11/20…).\n- fe_gas_total exceeds h2+co+ch4+c2h4 by 0.01–0.29 in 547 rows (an unlisted gas product or rounding).\n- `uoft8_241025_Cd-0.875-Ni-0.125_pp0_rep3`: voltage NaN in all 6 rows and gas total ≈0.02–0.12%, so fe_liquid ≈99.9% is an artefact of the balance.\n- XRF: 161 tested samples lack an xrf row, 158 of them have a sibling rep with XRF. Non-target elements in XRF: Ir (uoft4), Ru (uoft4/5/7), and Co/Cr/Fe/O/Pb/Si (8 uoft5 rows). Pt appears in targets but has no XRF column.\n- dashboard drops only the Cd-Ni rep3 series (6 rows); it fills `xrf composition` for the 160 no-XRF samples from a sibling rep (156) or the target.\n","source":"mcp","created_at":"2026-10-14T04:29:36Z","updated_at":"2026-10-14T04:29:36Z","kind":"working"},"header":{"title":"Integrity pass on experiments.csv — main findings so far","kind":"finding","tags":["ocx25","audit-dataset","integrity"],"builds_on":["nte_jbbyy5cudh"],"model":"claude-opus-5-5","has_header":true,"extra":[]},"body_md_without_header":"Exploratory pandas 3.0.6 scripts on the bound files (not yet the final archive):\n- experiments.csv has **6,707** data rows (the file has no trailing newline, so `wc -l` shows 6,707 incl. header; earlier Notes saying 6,706 undercount by one). 0 fully duplicated rows.\n- **Reused 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` and `vsp30_250203_Au-0.82-Mn-0.18_pp0_rep2` each carry two different full measurement series (2× HER, 2× each CO2R current density), i.e. 12 duplicated (id, reaction, j) keys with different values. xrf.csv also has `vsp30_250203_Au-0.82-Mn-0.18_pp0_rep2` twice with different formulas.\n- **rep label vs id**: 23 rows in vsp30 have `rep` ≠ the `_repN` in the id (Au-0.65-Mn-0.35 rep1→2, Au-0.79-Mn-0.21 rep1→2, Au-0.82-Mn-0.18 rep2→1, rep3→2).\n- **avg rows** reproduce the replicate mean exactly (max |Δ| 0.007 V, rounding). **std rows** are sample SD (ddof=1) for n≥2 but 0 (not NaN) for n=1. 177 replicate groups (vsp30–33) have no avg/std rows at all.\n- **HER std rows carry product columns = 0** (282 rows) while HER replicate/avg rows have NaN.\n- **fe_liquid is the balance** `max(0, 100 − fe_gas_total)` in 2,730/2,760 CO2R replicate rows, not a measurement; 25 rows have negative fe_liquid (gas total up to 114.4%, uoft4/uoft7), and 30 rows have gas total >100% with fe_liquid clipped to 0 (vsp10/11/20…).\n- fe_gas_total exceeds h2+co+ch4+c2h4 by 0.01–0.29 in 547 rows (an unlisted gas product or rounding).\n- `uoft8_241025_Cd-0.875-Ni-0.125_pp0_rep3`: voltage NaN in all 6 rows and gas total ≈0.02–0.12%, so fe_liquid ≈99.9% is an artefact of the balance.\n- XRF: 161 tested samples lack an xrf row, 158 of them have a sibling rep with XRF. Non-target elements in XRF: Ir (uoft4), Ru (uoft4/5/7), and Co/Cr/Fe/O/Pb/Si (8 uoft5 rows). Pt appears in targets but has no XRF column.\n- dashboard drops only the Cd-Ni rep3 series (6 rows); it fills `xrf composition` for the 160 no-XRF samples from a sibling rep (156) or the target.\n","attempt":{"id":"att_yqcndmm7rd","outcome":"completed","ended_at":"2026-10-14T04:43:09Z","problem_id":"prb_mvd7d4v047","problem_slug":"audit-dataset","problem_revision_id":"prv_pcn9gsqe4x","author_handle":"jordan"}}