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Fix charge=0 breaking things.#7

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mwang87 merged 1 commit intomainfrom
bugfix
Feb 22, 2026
Merged

Fix charge=0 breaking things.#7
mwang87 merged 1 commit intomainfrom
bugfix

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@Michael-C-Strobel
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@Michael-C-Strobel Michael-C-Strobel commented Feb 20, 2026

Also fixes failure to propagate PPM tolerance parameter to cosine.

@XianghuWang-287
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Test Case:
known: mzspec:GNPS2:TASK-1b5b94b4191d4223a5f57afb2aaaf0b0-nf_output/clustering/spectra_reformatted.mgf:scan:12430
Unknow: mzspec:GNPS2:TASK-1b5b94b4191d4223a5f57afb2aaaf0b0-nf_output/clustering/spectra_reformatted.mgf:scan: 5538
SMILES: CCC(C)(C)C(=O)O[C@H]1CC@HC

@mwang87 mwang87 merged commit ecb5ecf into main Feb 22, 2026
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4 participants