OpenMS
OpenMS copied to clipboard
OpenMS
The codebase of the OpenMS project
With OpenMS 3.0 and Knime 5.2 the RawFileConverter node doesn't run, and throws a "Failed to find matching binary." code. Interestingly enough FileConverter is perfectly happy to do the raw...
With SiriusAdapter reworked to SiriusExport and AssayGeneratorMetabo adapted to these changes #7234 some follow up changes need to be done: - [ ] remove SIRIUS executables from THIRDPARTY - [...
Windows server gave an error during the build-and-test job, at the Package step. It seems like an NSIS error, and I wonder if anyone has any idea why. Here's the...
Hi, I have a problem with OpenSwath when I load the swath_windows_file into OpenSwath: `/Applications/OpenMS-3.1.0/bin/OpenSwathWorkflow \ -in /Volumes/.../All_pos/18625_PS-B1-7.mzML \ -tr /Users/Documents/test/assaylibrary.tsv \ -tr_type tsv \ -sort_swath_maps \ -swath_windows_file /Users/Desktop/SWATHwindows_analysis.tsv \...
I just figured that updating the contrib and updating the submodule is not enough to get cached contrib artefacts. https://github.com/OpenMS/OpenMS/blob/develop/.github/workflows/openms_ci_matrix_full.yml#L215 Were these uploaded by jenkins in the past? What would...
## Description K I did some tests how switching the intensity type from float to double (like for m/z) affects OpenMS. Surprisingly, hick-ups were rather small and only impacted a...
Hi, The following message was found when generated a spectrum library using DDA data. Please help Thanks Traceback (most recent call last): File "C:\ProgramData\Python_3.9\Scripts\easypqp-script.py", line 33, in sys.exit(load_entry_point('easypqp==0.1.42', 'console_scripts', 'easypqp')())...
Goal: - get rid of SIRIUS THIRDPARTY dependency while still allowing to create e.g., web apps that is pinned to a working SIRIUS version
MZMLb is an implementation of MZML using HDF5 to store binary information it is faster and smaller than traditional MZML (https://pubs.acs.org/doi/10.1021/acs.jproteome.0c00192). We should add support for it in OpenMS.