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Problem visualizing mass spectra of corresponding selection on TIC plot with .CDF files #827

Closed mabelgon88 closed 2 years ago

mabelgon88 commented 2 years ago

Describe the bug Hi Ming! I was trying to test the Dashboard with different datasets from GC-MS instruments that I have and I found that is working fine with Mzml datasets, but not with .CDF files.

To Reproduce Steps/Task to reproduce the behavior:

  1. Go to employing this tool: https://gnps-explorer.ucsd.edu/?dataset_accession=1fbca16f44b04c679a95faff4868e473&metadata_source=DEFAULT&metadata_option=
  2. Copy and paste the data accession: 1fbca16f44b04c679a95faff4868e473
  3. Select some random files and click Visualize ## files
  4. Scroll down to TIC plot and "walk to the chromatogram"
  5. You will see that the Mass spectra (MS spectrum plot) to the right changes changes until the correspondent MS1: 999 (around 5.5 minutes, but then if you select higher retention times the MS1: 1000 freeze in that number and also the mass spectra plot is the same. I tried this with several datasets and it is happening the same thing with all .CDF files.

Expected behavior I expect that the bug be solved for analyzing .CDF files or instructions of how can I solve this issue

Screenshots I add screenshots to three different retention times. Two screenshots look like the same, but they are actually different poisitions in the TIC plot Screen Shot 2022-03-08 at 7 08 09 PM Screen Shot 2022-03-08 at 7 08 21 PM

Screen Shot 2022-03-08 at 7 07 50 PM

Additional context This bug is with GC-MS data in .CDF format

mwang87 commented 2 years ago

Oh man, I think its how I'm writing the mzML files converted from CDF! Let me take a look really quickly, I think we can figure it out.

Thanks @mabelgon88

mwang87 commented 2 years ago

Fixed: https://gnps-lcms.ucsd.edu/#%7B%22usi%22%3A%20%22mzspec%3AGNPS%3ATASK-1fbca16f44b04c679a95faff4868e473-mabel_gonzalez/MYLF/Old/CONVERTED/190307017_021%20D.CDF%22%2C%20%22usi2%22%3A%20%22%22%7D