[New Tool Request]: Calculate mass accuracy and rt deviation from skyine report (alkanes)

[Ondrej-Bucek]

New Tool Request

Summary

Tool: The tool will calculate mass accuracy and rt deviation from the report, possible to generate from Skyline (alkanes). The outputs are:

• table containing the worst mass accuracy and the largest rt deviation
• 3 QC plots

1. mass accuracy for each alkane in each sample plotted chronologically (line plot)
2. rt of each alkane in each sample plotted chronologically (line plot)
3. maximum rt deviation for each alkane (bar plot)

for more, see the attached .ipynb

Galaxy_report_alkanes.csv
Skyline_report_processing_and_plotting.ipynb

Checklist

• Repository is structured as a package / can be installed via pip install . or R CMD install .
• Package is on PyPI/CRAN?
• Package is available on conda (bioconda/conda-forge)?
• Package implements a CLI?