CRAN
MALDIquant 1.19.3
Quantitative Analysis of Mass Spectrometry Data
Released May 12, 2019 by Sebastian Gibb
A complete analysis pipeline for matrix-assisted laser desorption/ionization-time-of-flight (MALDI-TOF) and other two-dimensional mass spectrometry data. In addition to commonly used plotting and processing methods it includes distinctive features, namely baseline subtraction methods such as morphological filters (TopHat) or the statistics-sensitive non-linear iterative peak-clipping algorithm (SNIP), peak alignment using warping functions, handling of replicated measurements as well as allowing spectra with different resolutions.
Installation
Maven
This package can be included as a dependency from a Java or Scala project by including
the following your project's pom.xml
file.
Read more
about embedding Renjin in JVM-based projects.
<dependencies> <dependency> <groupId>org.renjin.cran</groupId> <artifactId>MALDIquant</artifactId> <version>1.19.3-b1</version> </dependency> </dependencies> <repositories> <repository> <id>bedatadriven</id> <name>bedatadriven public repo</name> <url>https://nexus.bedatadriven.com/content/groups/public/</url> </repository> </repositories>
Renjin CLI
If you're using Renjin from the command line, you load this library by invoking:
library('org.renjin.cran:MALDIquant')
Test Results
This package was last tested against Renjin 0.9.2726 on May 14, 2019.
- AbstractMassObject-class-examples
- MALDIquant-parallel-examples
- MassSpectrum-class-examples
- _as_matrix._as_binary_matrix_E1
- _as_matrix._as_binary_matrix_E2
- _as_matrix._as_matrix_MassObjectsList_E1
- _as_matrix._as_matrix_MassObjectsList_E2
- _as_matrix._as_matrix_MassObjectsList_throws_errors
- _colMedians._colCors_E1
- _colMedians._colCors_E2
- _colMedians._colCors_E3
- _colMedians._colMaxs
- _colMedians._colMedians
- _colMedians._colMedians_throws_errors_E1
- _colMedians._colMedians_throws_errors_E2
- _deprecated._deprecated
- _deprecated._deprecatedArgument
- _deprecated._deprecatedFunction
- _doByLabels._doByLabels_runs_a_function_for_group_labels_E1
- _doByLabels._doByLabels_runs_a_function_for_group_labels_E2
- _doByLabels._doByLabels_runs_a_function_for_group_labels_E3
- _doByLabels._doByLabels_runs_a_function_for_group_labels_E4
- _doByLabels._doByLabels_runs_a_function_for_group_labels_E5
- _doByLabels._doByLabels_runs_a_function_for_group_labels_E6
- _doByLabels._doByLabels_runs_a_function_for_group_labels_E7
- _doByLabels._doByLabels_throws_errors
- _findLocalMaximaLogical._findLocalMaxima(Logical)_shows_warnings_E1
- _findLocalMaximaLogical._findLocalMaxima(Logical)_shows_warnings_E2
- _findLocalMaximaLogical._findLocalMaximaLogical_throws_errors
- _findLocalMaximaLogical._findLocalMaximaLogical_works_with_different_window_sizes_E1
- _findLocalMaximaLogical._findLocalMaximaLogical_works_with_different_window_sizes_E2
- _findLocalMaximaLogical._findLocalMaxima_returns_matrix_E1
- _findLocalMaximaLogical._findLocalMaxima_returns_matrix_E2
- _irregular._irregularScore_E1
- _irregular._irregularScore_E2
- _localMaxima._localMaxima
- _mapply._mapply
- _monoisotopic._F
- _monoisotopic._P
- _monoisotopic._Psum
- _monoisotopic._monoisotopicPattern_E1
- _monoisotopic._monoisotopicPattern_E2
- _monoisotopic._monoisotopicPattern_E3
- _monoisotopic._monoisotopicPattern_E4
- _monoisotopic._monoisotopicPattern_E5
- _monoisotopic._monoisotopicPattern_E6
- _monoisotopic._monoisotopic_E1
- _monoisotopic._monoisotopic_E2
- _monoisotopic._monoisotopic_E3
- _monoisotopic._monoisotopic_E4
- _monoisotopic._monoisotopic_E5
- _monoisotopic._pseudoCluster
- _plotMsiSlice._array2matrix_E1
- _plotMsiSlice._array2matrix_E2
- _plotMsiSlice._array2matrix_E3
- _plotMsiSlice._colorMatrix_E1
- _plotMsiSlice._colorMatrix_E2
- _plotMsiSlice._combineColorMatrices
- _plotMsiSlice._rgb
- alignSpectra-functions-examples
- alignSpectra.alignSpectra
- alignSpectra.alignSpectra_throws_errors
- approxfun.approxfun_E1
- approxfun.approxfun_E2
- approxfun.approxfun_E3
- as.as
- as_matrix.as_matrix_works_with_indices_E1
- as_matrix.as_matrix_works_with_indices_E2
- as_matrix.as_matrix_works_with_indices_E3
- as_matrix.as_matrix_works_without_indices_E1
- as_matrix.as_matrix_works_without_indices_E2
- averageMassSpectra-functions-examples
- averageMassSpectra._averageMassSpectra_E1
- averageMassSpectra._averageMassSpectra_E2
- averageMassSpectra.averageMassSpectra_E1
- averageMassSpectra.averageMassSpectra_E2
- averageMassSpectra.averageMassSpectra_throws_errors
- averageMassSpectra.averageMassSpectra_works_with_empty_spectra_E1
- averageMassSpectra.averageMassSpectra_works_with_empty_spectra_E2
- binPeaks-functions-examples
- binPeaks.binPeaks_bins_peaks_releaxed
- binPeaks.binPeaks_bins_peaks_strict
- binPeaks.binPeaks_don't_introduce_new_peaks;_issue_61
- binPeaks.binPeaks_throws_errors
- calculateLabelPositions._overlaps_E1
- calculateLabelPositions._overlaps_E2
- calculateLabelPositions._overlaps_E3
- calculateLabelPositions._overlaps_E4
- calculateLabelPositions._overlaps_E5
- calculateLabelPositions._overlaps_E6
- calculateLabelPositions._overlaps_E7
- calculateLabelPositions._overlaps_E8
- calculateLabelPositions._rotate_E1
- calculateLabelPositions._rotate_E2
- calculateLabelPositions._rotate_E3
- calculateLabelPositions._rotate_E4
- calculateLabelPositions._rotate_E5
- calculateLabelPositions._scaleFactor
- calculateLabelPositions._strWH_E1
- calculateLabelPositions._strWH_E2
- calculateLabelPositions._textLabelRects_E1
- calculateLabelPositions._textLabelRects_E2
- calibrateIntensity-methods-examples
- calibrateIntensity.calibrateIntensity,MassSpectrum_throws_errors
- calibrateIntensity.calibrateIntensity,MassSpectrum_throws_warnings
- calibrateIntensity.calibrateIntensity,list_throws_errors
- calibrateIntensity.calibrateIntensity_works_with_PQN
- calibrateIntensity.calibrateIntensity_works_with_TIC_E1
- calibrateIntensity.calibrateIntensity_works_with_TIC_E2
- calibrateIntensity.calibrateIntensity_works_with_TIC_E3
- calibrateIntensity.calibrateIntensity_works_with_median_E1
- calibrateIntensity.calibrateIntensity_works_with_median_E2
- calibrateIntensity.calibrateIntensity_works_with_median_E3
- calibrateIntensity.calibrateIntensity_works_with_median_E4
- constructors.a_MassPeaks_object_is_constructed
- constructors.a_MassSpectrum_object_is_constructed
- coordinates.coordinates<-_E1
- coordinates.coordinates<-_E2
- coordinates.coordinates<-_E3
- coordinates.coordinates<-_E4
- coordinates.coordinates<-_throws_errors_E1
- coordinates.coordinates<-_throws_errors_E2
- coordinates.coordinates<-_throws_warnings
- coordinates.coordinates_E1
- coordinates.coordinates_E2
- coordinates.coordinates_E3
- coordinates.coordinates_E4
- createMassPeaks-functions-examples
- createMassSpectrum-functions-examples
- detectPeaks-methods-examples
- detectPeaks.detectPeaks
- detectPeaks.detectPeaks_shows_warnings
- detectPeaks.detectPeaks_works_with_list_of_MassSpectrum_objects
- determineWarpingFunctions-functions-examples
- determineWarpingFunctions.determineWarpingFunctions_supports_allowNoMatches_argument_E1
- determineWarpingFunctions.determineWarpingFunctions_supports_allowNoMatches_argument_E2
- determineWarpingFunctions.determineWarpingFunctions_supports_allowNoMatches_argument_E3
- determineWarpingFunctions.determineWarpingFunctions_supports_allowNoMatches_argument_E4
- determineWarpingFunctions.determineWarpingFunctions_throws_errors
- determineWarpingFunctions.determineWarpingFunctions_throws_warnings
- determineWarpingFunctions.determineWarpingFunctions_works_with_list_of_MassPeaks_objects_E1
- determineWarpingFunctions.determineWarpingFunctions_works_with_list_of_MassPeaks_objects_E2
- determineWarpingFunctions.determineWarpingFunctions_works_with_single_MassPeaks_object_E1
- determineWarpingFunctions.determineWarpingFunctions_works_with_single_MassPeaks_object_E2
- estimateBaseline-methods-examples
- estimateBaseline.estimateBaselineConvexHull
- estimateBaseline.estimateBaselineMedian_E1
- estimateBaseline.estimateBaselineMedian_E2
- estimateBaseline.estimateBaselineMedian_E3
- estimateBaseline.estimateBaselineMedian_E4
- estimateBaseline.estimateBaselineSnip
- estimateBaseline.estimateBaselineTopHat
- estimateBaseline.estimateBaseline_shows_warnings
- estimateBaseline.estimateBaseline_throws_errors
- estimateNoise-methods-examples
- estimateNoise-methods._estimateNoiseMad_E1
- estimateNoise-methods._estimateNoiseMad_E2
- estimateNoise-methods._estimateNoiseMad_E3
- estimateNoise-methods._estimateNoiseMad_E4
- estimateNoise-methods._estimateNoiseMad_E5
- estimateNoise-methods._estimateNoiseSuperSmoother
- estimateNoise-methods.estimateNoise_shows_warnings
- estimateNoise-methods.estimateNoise_throws_errors
- filterPeaks-functions-examples
- filterPeaks.filterPeaks_E1
- filterPeaks.filterPeaks_E2
- filterPeaks.filterPeaks_E3
- filterPeaks.filterPeaks_E4
- filterPeaks.filterPeaks_E5
- filterPeaks.filterPeaks_E6
- filterPeaks.filterPeaks_E7
- filterPeaks.filterPeaks_E8
- filterPeaks.filterPeaks_E9
- filterPeaks.filterPeaks_mergeWhitelists_argument_works_E1
- filterPeaks.filterPeaks_mergeWhitelists_argument_works_E2
- filterPeaks.filterPeaks_mergeWhitelists_argument_works_E3
- filterPeaks.filterPeaks_mergeWhitelists_argument_works_E4
- filterPeaks.filterPeaks_shows_warnings
- filterPeaks.filterPeaks_throws_errors
- findEmptyMassObjects-functions-examples
- findEmptyMassObjects.findEmptyMassObjects_E1
- findEmptyMassObjects.findEmptyMassObjects_E2
- findEmptyMassObjects.findEmptyMassObjects_E3
- findEmptyMassObjects.findEmptyMassObjects_E4
- findEmptyMassObjects.findEmptyMassObjects_throws_errors
- grouper.grouperRelaxedHighestAtReference_E1
- grouper.grouperRelaxedHighestAtReference_E2
- grouper.grouperRelaxedHighestAtReference_E3
- grouper.grouperRelaxed_E1
- grouper.grouperRelaxed_E2
- grouper.grouperRelaxed_E3
- grouper.grouperStrict_E1
- grouper.grouperStrict_E2
- grouper.grouperStrict_E3
- intensity.intensity<-_E1
- intensity.intensity<-_E2
- intensity.intensity<-_throws_errors_E1
- intensity.intensity<-_throws_errors_E2
- intensity.intensity_E1
- intensity.intensity_E2
- intensityMatrix-functions-examples
- intensityMatrix.intensityMatrix_E1
- intensityMatrix.intensityMatrix_E2
- intensityMatrix.intensityMatrix_throws_errors
- isEmpty.isEmptyWarning
- isEmpty.isEmpty_E1
- isEmpty.isEmpty_E2
- isEmpty.isEmpty_E3
- isEmpty.isEmpty_E4
- isEmpty.isEmpty_E5
- isMassObject-functions-examples
- isMassObject._isMassObject_E1
- isMassObject._isMassObject_E2
- isMassObject._isMassObject_E3
- isMassObject._isMassObject_E4
- isMassObject.isMassPeaks_E1
- isMassObject.isMassPeaks_E2
- isMassObject.isMassPeaks_E3
- isMassObject.isMassPeaks_E4
- isMassObject.isMassSpectrum_E1
- isMassObject.isMassSpectrum_E2
- isMassObject.isMassSpectrum_E3
- isMassObject.isMassSpectrum_E4
- isMassObjectList-functions-examples
- isMassObjectList._isMassObjectList_E1
- isMassObjectList._isMassObjectList_E2
- isMassObjectList._isMassObjectList_E3
- isMassObjectList._isMassObjectList_E4
- isMassObjectList._isMassObjectList_E5
- isMassObjectList._isMassObjectList_E6
- isMassObjectList._isMassObjectList_E7
- isMassObjectList.isMassPeaksList_E1
- isMassObjectList.isMassPeaksList_E2
- isMassObjectList.isMassPeaksList_E3
- isMassObjectList.isMassPeaksList_E4
- isMassObjectList.isMassPeaksList_E5
- isMassObjectList.isMassPeaksList_E6
- isMassObjectList.isMassPeaksList_E7
- isMassObjectList.isMassSpectrumList_E1
- isMassObjectList.isMassSpectrumList_E2
- isMassObjectList.isMassSpectrumList_E3
- isMassObjectList.isMassSpectrumList_E4
- isMassObjectList.isMassSpectrumList_E5
- isMassObjectList.isMassSpectrumList_E6
- isMassObjectList.isMassSpectrumList_E7
- isRegular.isRegular_E1
- isRegular.isRegular_E2
- isRegular.isRegular_E3
- isRegular.isRegular_E4
- isRegular.isRegular_E5
- isRegular.isRegular_E6
- isRegular.isRegular_E7
- labelPeaks-methods-examples
- labelPeaks.labelPeaks
- length.length_E1
- length.length_E2
- mass.mass<-_E1
- mass.mass<-_E2
- mass.mass<-_throws_errors_E1
- mass.mass<-_throws_errors_E2
- mass.mass_E1
- mass.mass_E2
- match.closest-examples
- match_closest.match_closest
- match_closest.match_closest,_length(table)_==_1_E1
- match_closest.match_closest,_length(table)_==_1_E2
- match_closest.match_closest,_length(table)_==_1_E3
- match_closest.match_closest,_length(table)_==_1_E4
- match_closest.match_closest,_length(table)_==_1_E5
- match_closest.match_closest,_tolerance
- merge._mergeMassPeaks_E1
- merge._mergeMassPeaks_E2
- merge._mergeMetaData_E1
- merge._mergeMetaData_E2
- merge.mergeMassPeaks_E1
- merge.mergeMassPeaks_E2
- merge.mergeMassPeaks_E3
- merge.mergeMassPeaks_E4
- merge.mergeMassPeaks_throws_errors
- mergeMassPeaks-functions-examples
- metaData.metaData
- metaData.metaData<-
- monoisotopicPeaks-methods-examples
- monoisotopicPeaks.detectPeaks_works_with_list_of_MassPeaks_objects
- monoisotopicPeaks.monoisotopicPeaks
- morphological_filters._dilation
- morphological_filters._erosion
- msiSlices-functions-examples
- msiSlices._msiSlices_E1
- msiSlices._msiSlices_E2
- msiSlices._msiSlices_E3
- msiSlices._msiSlices_E4
- msiSlices.msiSlices
- mz.mz<-_E1
- mz.mz<-_E2
- mz.mz<-_throws_errors_E1
- mz.mz<-_throws_errors_E2
- mz.mz_E1
- mz.mz_E2
- plot-methods-examples
- plotMsiSlice-methods-examples
- referencePeaks-functions-examples
- removeBaseline-methods-examples
- smoothIntensity-methods-examples
- testthat
- transformIntensity-methods-examples
- trim-methods-examples
- warp-functions-examples