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recetox-xmsannotator: reformat annotation table and correlation matrix #618

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hechth opened this issue Nov 18, 2024 · 0 comments

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hechth commented Nov 18, 2024

Wrapper for the reformatting section in the advanced annotation.

Inputs

annotation -> output of recetox-xmsannotator: compute isotopes #617
peak_table -> output of recetox-xmannotator: compute_rt_modules #616 and reetox-xmsannotator: compute mass defect #613
peak_correlation_matrix -> output of recetox-xmsannotator: compute_peak_correlations #614

Outputs

annotation -> tabular
global_cor -> tabular

hechth mentioned this issue

recetox-xmsannotator: compute chemscore #619

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