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32 lines
734 B
32 lines
734 B
#!/usr/bin/env python3
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from pandas import read_csv
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from pprint import pprint
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df = read_csv("./csv/1.csv")
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cols = [
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('chemical_db_id', 1),
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('library', 2),
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('name', 4),
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('formula', 5),
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('mass', 6),
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('pubchem_cid', 7),
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('pubmed_refcount', 8),
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('standard_class', 9),
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('inchikey', 11),
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('inchikey14', 12),
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('final_mz', 15),
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('final_rt', 16),
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('final_adduct', 17),
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('adduct', 18),
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('detected_adducts', 20),
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('adduct_calc_mz', 21),
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('msms_detected', 24),
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('msms_purity', 26)
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]
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idxs = [x[1] for x in cols]
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data = [{x[0]: row[x[1]] for x in cols} for row in df.to_dict('tight')['data']]
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for x in data:
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if x['msms_detected'] == 'No':
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del x['msms_detected']
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