Code and derived data for: Same Raw Data, Different Numbers: Locked Analysis Rules Make Film Descriptors of Organic Semiconductors Reproducible
收藏资源简介:
Derived tables and the code for every locked rule and stress test. The raw XRD, second-heating DSC, quartz absorbance and AFM files named in the paper are in the experiment records (XRD, thermal, UV-Vis, AFM). Methods: Scripts are written in Python 3 (NumPy, SciPy, pandas, matplotlib; RDKit for structure drawings where used). Each script reads the tables of this record or the raw files of the experiment records and writes numerical tables and figure panels (vector PDF with a 600-dpi PNG). AFM roughness and correlation descriptors under several levelling conventions with jackknife uncertainties; Urbach-window grid tests and locked fitting rules; glass-transition constructions and Td5 bases from the thermal data; DFT input tables; figure and table scripts. Companion paper: Same Raw Data, Different Numbers: Locked Analysis Rules Make Film Descriptors of Organic Semiconductors Reproducible (manuscript prepared for Small Methods). Raw instrument files are in the experiment records of the series (AFM, UV-Vis, DRS, ellipsometry, PL, time-resolved PL, CV, DSC/TGA, XRD, FTIR, NMR/MS, electron microscopy, J-V, impedance, DFT). Licence: CC BY 4.0 for data and documentation; MIT for code (LICENSE files in the code folders). Version 2.0 (30 October 2026): documentation updated; data unchanged.



