I'm looking at the example data and example jupyter notebooks that are provided with the ViMMS download.
When in book 04. Top-N Simulations, in section 5. Compare Results, the first line (loading simulated data) is not working correctly - I get the error below:
I've traced this back to the .mzML file that is being loaded in for simulated data.
The issue is in the <spectrumRef ...> portion of the mzML file. The code expects a string that includes "... scan=1", but the simulated mzML file instead has "SPECTRUM_1". The next line of code, using the real_input_file, works as expected.
I've tried to look into where the MzmlWriter would be putting this in so I could fix it, but haven't been able to hash out exactly where "SPECTRUM_" is coming from - maybe its coming from a library rather than your code.
I'm looking at the example data and example jupyter notebooks that are provided with the ViMMS download.
When in book 04. Top-N Simulations, in section 5. Compare Results, the first line (loading simulated data) is not working correctly - I get the error below:
I've traced this back to the .mzML file that is being loaded in for simulated data.
The issue is in the
<spectrumRef ...>
portion of the mzML file. The code expects a string that includes"... scan=1"
, but the simulated mzML file instead has"SPECTRUM_1"
. The next line of code, using thereal_input_file
, works as expected.I've tried to look into where the MzmlWriter would be putting this in so I could fix it, but haven't been able to hash out exactly where "SPECTRUM_" is coming from - maybe its coming from a library rather than your code.