Repository revision
6:f86fec07f392

Repository 'lcmsmatching'
hg clone https://toolshed.g2.bx.psu.edu/repos/prog/lcmsmatching

LCMS matching tool metadata
Miscellaneous
Annotation of LCMS peaks using matching on a in-house spectra database or on PeakForest spectra database.
lcmsmatching
toolshed.g2.bx.psu.edu/repos/prog/lcmsmatching/lcmsmatching/4.0.2
4.0.2
None
True
Version lineage of this tool (guids ordered most recent to oldest)
toolshed.g2.bx.psu.edu/repos/prog/lcmsmatching/lcmsmatching/4.0.2 (this tool)
toolshed.g2.bx.psu.edu/repos/prog/lcmsmatching/lcmsmatching/3.3.1
toolshed.g2.bx.psu.edu/repos/prog/lcmsmatching/lcmsmatching/3.2.0
toolshed.g2.bx.psu.edu/repos/prog/lcmsmatching/lcmsmatching/3.1.8
toolshed.g2.bx.psu.edu/repos/prog/lcmsmatching/lcmsmatching/3.1.7
toolshed.g2.bx.psu.edu/repos/prog/lcmsmatching/lcmsmatching/3.0
toolshed.g2.bx.psu.edu/repos/prog/lcmsmatching/lcmsmatching/2.1.3
lcmsmatching
Requirements (dependencies defined in the <requirements> tag set)
name version type
r-biodb 1.2.2 package
r-getopt 1.20.2 package
r-codetools 0.2_15 package
Functional tests
name inputs outputs required files
Test-1 inputfields: mz=mz
db|dbtype: inhouse
db|dburl: filedb.tsv
mzrtinput: mz-input-small.tsv
mzmode: pos
attributes: name
attributes: name
attributes: name
filedb.tsv
mz-input-small.tsv
name
Test-2 inputfields: mz=mz,rt=rt
db|dbtype: inhouse
toly: 0.8
tolx: 5
mzrtinput: mzrt-input-small.tsv
chromcols: col12
db|dbrtunit: min
db|dburl: filedb.tsv
mzmode: pos
attributes: name
attributes: name
attributes: name
filedb.tsv
mzrt-input-small.tsv
name
Test-3 inputfields: mz=mz,rt=rt
db|dbtype: inhouse
toly: 0.8
tolx: 5
mzrtinput: mzrt-input-small.tsv
chromcols: col12
tolz: 60
db|dbrtunit: min
db|dburl: filedb.tsv
mzmode: pos
prec|neg: [(M-H)]-,[M-H]-
prec|pos: [(M+H)]+,[M+H]+
prec|match: true
attributes: name
attributes: name
attributes: name
filedb.tsv
mzrt-input-small.tsv
name