shuzhao-li-lab / JMS

Json's Metabolite Services
MIT License
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Run `annotate_peaks_against_kcds` on negative mode still generates positive mode annotation #12

Open gmhhope opened 2 years ago

gmhhope commented 2 years ago
annotate_peaks_against_kcds(list_peaks, list_compounds, 
                                export_file_name_prefix='../output/HILICneg/jms_isoRatioFalse_out/jms_annotated_',
                                mode='neg',  mz_tolerance_ppm=5, check_isotope_ratio = False)

Annotation of 724 Empirical compounds was written to ../output/HILICneg/jms_isoRatioFalse_out/jmsannotated.tsv.



- See the results
[jms_annotated_.tsv.zip](https://github.com/shuzhao-li/JMS/files/8795237/jms_annotated_.tsv.zip)