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rformassspectrometry
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Spectra
Low level infrastructure to handle MS spectra
https://rformassspectrometry.github.io/Spectra/
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feat: add filterFourierTransformArtefacts function (issue #223)
#225
jorainer
closed
2 years ago
14
Install test suite for backend packages
#224
sneumann
closed
2 years ago
4
implement a filter removing Orbitrap (FFT) artefact
#223
jorainer
closed
10 months ago
2
New countIdentifications() function
#222
lgatto
closed
2 years ago
9
docs: update documentation on compareSpectra
#221
jorainer
closed
2 years ago
0
Concatenate Spectra
#220
MonicaCalSan
closed
2 years ago
7
compareSpectra to always (by default) return a matrix
#219
jorainer
closed
1 year ago
2
compareSpectra function error
#218
YANGJJ93research
opened
2 years ago
5
Warning issue of setBackend
#217
plantton
closed
2 years ago
1
Fix bug in plotSpectra and plotSpectraMirror and update vdiffr
#216
jorainer
closed
2 years ago
0
features: joinSpectraData() checks for key duplicates
#215
lgatto
closed
2 years ago
0
feat: new plotMzDelta functions
#214
lgatto
closed
2 years ago
2
fix: fix random errors with MsBackendMzR on macOS
#213
jorainer
closed
2 years ago
0
Spectra on macOS: Sizes of mz and intensity arrays don't match.
#212
jorainer
closed
2 years ago
1
docs: documentation update
#211
jorainer
closed
2 years ago
0
feat: filterMzValues supports removing peaks (issue #209)
#210
jorainer
closed
2 years ago
12
Let filterMzValues also remove selected peaks
#209
jorainer
closed
2 years ago
1
docs: add list of packages providing backends to vignette
#208
jorainer
closed
2 years ago
0
Move bin and compareSpectra generics to ProtGenerics
#207
jorainer
closed
3 years ago
0
fix: per-file filtering in filterPrecursorScan (issue #194)
#206
jorainer
closed
3 years ago
2
Add package logo
#205
lgatto
closed
3 years ago
0
Calculation of quality metrics based on HUPO-PSI/mzQC definitions
#204
tnaake
opened
3 years ago
8
feat: add estimatePrecursorIntensity (issue #202)
#203
jorainer
closed
3 years ago
2
Estimate precursor intensities for MS2 spectra
#202
jorainer
closed
3 years ago
1
Problems with ‘"Spectra"’ signature
#201
Dev-RDV
closed
3 years ago
2
Concatenating two empty Spectra fails
#200
meowcat
closed
3 years ago
4
noramlize,Spectra
#199
lgatto
opened
3 years ago
2
HDF5 file backend help
#198
ococrook
closed
2 years ago
9
unusual behaviour when concatenating spectra
#197
ococrook
opened
3 years ago
3
Exporting individual MS spectra from msnexp object
#196
Jokendo-collab
closed
2 years ago
6
Interactive navigation/visualisation of Spectra
#195
lgatto
closed
3 years ago
4
Bug in filterPrecursorScan()
#194
lgatto
opened
3 years ago
4
feat: new filterPrecursorCharge() method - see issue #192
#193
lgatto
closed
3 years ago
0
Adding a filterPrecursorCharge() filter function?
#192
lgatto
opened
3 years ago
12
Should we have a uniqueMsLevel() accessor
#191
lgatto
closed
10 months ago
9
.isotope_peak function for isotope peak groups identification
#190
andreavicini
closed
2 years ago
9
Move filter functions to the backend
#189
jorainer
closed
3 years ago
1
fix: drop names on peaks list (fixes issue #187)
#188
jorainer
closed
3 years ago
0
New .peaksapply fails with MsBackendMassbankSql
#187
meowcat
closed
3 years ago
4
External backends running unit tests of Spectra?
#186
jorainer
closed
10 months ago
4
Find all isotope peaks in a spectrum
#185
jorainer
opened
3 years ago
8
Filtering order
#184
lgatto
opened
3 years ago
4
Support arbitrary spectra variables in addProcessing
#183
jorainer
closed
3 years ago
2
Pass arbitrary spectraVariables to the function applied by `addProcessing`
#182
jorainer
closed
3 years ago
3
Efficient way to calculate neutral losses
#181
jorainer
closed
3 years ago
9
This adds support for GNPS spectra similarity scores
#180
jorainer
closed
3 years ago
0
dataStorage and dataOrigin semantics
#179
meowcat
closed
3 years ago
2
Pass also precursor m/z to the similarity functions and add GNPS score
#178
jorainer
closed
3 years ago
0
Move ProcessingStep to ProtGenerics
#177
jorainer
closed
3 years ago
0
`Spectra` accessor methods: which variables get a replace method (why)?
#176
meowcat
closed
3 years ago
2
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