iomega/ms2query

Update the example data in `dummy_data`

Closed this issue · 2 comments

mapio commented

I'm using release 1.2.4 and following the README I run

ms2query --library library_folder --download --ionmode positive 
ms2query --spectra dummy_spectra.mgf --library library_folder --ionmode positive 

Where dummy_spectra.mgf is https://github.com/iomega/ms2query/blob/main/dummy_data/dummy_spectra.mgf.

Then I compared the output results/dummy_spectra.csv with expected_results_dummy_data.csv at https://github.com/iomega/ms2query/blob/main/dummy_data/expected_results_dummy_data.csv.

These two file have quite different contents, for instance, the list of headers is different (feature_id, retention_index and spectrum_ids appear only in one of the two files).

This can be confusing for a first time user. I think that updating the "dummy" test files will help to make users more confident that their installation and use is correct.

Good point, thanks for making an issue. I will check and update accordingly

Fixed with #215