Repository revision
17:fb09ed49c70e

Repository 'matchms_convert'
hg clone https://toolshed.g2.bx.psu.edu/repos/recetox/matchms_convert

matchms convert tool metadata
Miscellaneous
convert between mass spectral library formats (.mgf/.msp/.json) using matchms
matchms_convert
toolshed.g2.bx.psu.edu/repos/recetox/matchms_convert/matchms_convert/0.24.0+galaxy0
0.24.0+galaxy0
None
True
Version lineage of this tool (guids ordered most recent to oldest)
toolshed.g2.bx.psu.edu/repos/recetox/matchms_convert/matchms_convert/0.25.0+galaxy0
toolshed.g2.bx.psu.edu/repos/recetox/matchms_convert/matchms_convert/0.24.0+galaxy0 (this tool)
toolshed.g2.bx.psu.edu/repos/recetox/matchms_convert/matchms_convert/0.23.1+galaxy0
toolshed.g2.bx.psu.edu/repos/recetox/matchms_convert/matchms_convert/0.22.0+galaxy2
toolshed.g2.bx.psu.edu/repos/recetox/matchms_convert/matchms_convert/0.20.0+galaxy0
toolshed.g2.bx.psu.edu/repos/recetox/matchms_convert/matchms_convert/0.19.0+galaxy0
toolshed.g2.bx.psu.edu/repos/recetox/matchms_convert/matchms_convert/0.17.0+galaxy0
matchms_convert
Requirements (dependencies defined in the <requirements> tag set)
name version type
matchms 0.24.0 package
Functional tests
name inputs outputs required files
Test-1 spectral_library: similarity/RECETOX_Exposome_pesticides_HR_MS_20220323.msp
harmonization_metadata: False
output_file|output_format: mgf
name: value
similarity/RECETOX_Exposome_pesticides_HR_MS_20220323.msp
value
Test-2 spectral_library: similarity/RECETOX_Exposome_pesticides_HR_MS_20220323.msp
harmonization_metadata: False
output_file|output_format: json
name: value
similarity/RECETOX_Exposome_pesticides_HR_MS_20220323.msp
value
Test-3 spectral_library: convert/mgf_out.mgf
harmonization_metadata: False
output_file|export_peak_comments: False
output_file|export_style: matchms
output_file|output_format: msp
name: value
convert/mgf_out.mgf
value
Test-4 spectral_library: convert/mgf_out.mgf
harmonization_metadata: True
output_file|export_peak_comments: False
output_file|export_style: matchms
output_file|output_format: msp
name: value
convert/mgf_out.mgf
value
Test-5 spectral_library: convert/mgf_out.mgf
harmonization_metadata: True
output_file|export_peak_comments: True
output_file|export_style: matchms
output_file|output_format: msp
name: value
convert/mgf_out.mgf
value
Test-6 spectral_library: convert/mgf_out.mgf
harmonization_metadata: True
output_file|export_peak_comments: False
output_file|export_style: ms_lima
output_file|output_format: msp
name: value
convert/mgf_out.mgf
value