Skip to content

Comments

Fix charge=0 breaking things.#7

Open
Michael-C-Strobel wants to merge 1 commit intomainfrom
bugfix
Open

Fix charge=0 breaking things.#7
Michael-C-Strobel wants to merge 1 commit intomainfrom
bugfix

Conversation

@Michael-C-Strobel
Copy link
Member

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

Also fixes failure to propagate PPM tolerance parameter to cosine.

@XianghuWang-287
Copy link

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

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

2 participants