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What I Learned from Analyzing Accurate Mass Data of 3000 Supporting Information Files

Year: 2024
Type: article
Abstract: High Resolution Image Download MS PowerPoint Slide A Python script for the systematic, high-throughput analysis of accurate mass data was developed and tested on more than 3000 Supporting Information (SI) PDFs from Organic Letters . For each SI file, quadruplets of molecular formula, measured ion, e.g., [M + Na] +, and reported calculated and found masses were extracted and analyzed. Interestingly, only 40% of the files containing readable accurate mass data were both internally consistent and in compliance with The ACS Guide to Scholarly Communication . The analysis revealed unexpected errors and provided actionable advice on how to improve data quality.
Language: English
Open Access status: hybrid
Estimated APC paid: $4,500
OpenAlex ID: W4405587342
FWCI: 7.376
Cites: 11
Cited by: 5
Related to: 10