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Data Processing Engines

R6 classes are used as processing engines for reading, processing, inspecting and storing data.

CoreEngine
CoreEngine R6 class and methods
MassSpecEngine
MassSpecEngine R6 class and methods
RamanEngine
RamanEngine R6 class and methods
StatisticEngine
StatisticEngine R6 class and methods

Processing settings

A data processing workflow in StreamFind is assemble by creating an ordered list of proessing settings objects. Each processing method is assigened to a processing engine and an algorithm.

MassSpec Settings

MassSpecSettings_AnnotateFeatures_StreamFind()
MassSpecSettings_AnnotateFeatures_StreamFind
MassSpecSettings_AverageSpectra_StreamFind()
MassSpecSettings_AverageSpectra_StreamFind
MassSpecSettings_BinSpectra_StreamFind()
MassSpecSettings_BinSpectra_StreamFind
MassSpecSettings_CalculateFeaturesQuality_StreamFind()
MassSpecSettings_CalculateFeaturesQuality_StreamFind
MassSpecSettings_CalculateSpectraCharges_StreamFind()
MassSpecSettings_CalculateSpectraCharges_StreamFind
MassSpecSettings_ClusterSpectra_StreamFind()
MassSpecSettings_ClusterSpectra_StreamFind
MassSpecSettings_CorrectChromatogramsBaseline_airpls()
MassSpecSettings_CorrectChromatogramsBaseline_airpls
MassSpecSettings_CorrectChromatogramsBaseline_baseline_als()
MassSpecSettings_CorrectChromatogramsBaseline_baseline_als
MassSpecSettings_CorrectMatrixSuppression_TiChri()
MassSpecSettings_CorrectMatrixSuppression_TiChri
MassSpecSettings_CorrectSpectraBaseline_airpls()
MassSpecSettings_CorrectSpectraBaseline_airpls
MassSpecSettings_CorrectSpectraBaseline_baseline_als()
MassSpecSettings_CorrectSpectraBaseline_baseline_als
MassSpecSettings_DeconvoluteSpectra_StreamFind()
MassSpecSettings_DeconvoluteSpectra_StreamFind
MassSpecSettings_FillFeatures_StreamFind()
MassSpecSettings_FillFeatures_StreamFind
MassSpecSettings_FilterFeatures_patRoon()
MassSpecSettings_FilterFeatures_patRoon
MassSpecSettings_FilterFeatures_StreamFind()
MassSpecSettings_FilterFeatures_StreamFind
MassSpecSettings_FindFeatures_kpic2()
MassSpecSettings_FindFeatures_kpic2
MassSpecSettings_FindFeatures_openms()
MassSpecSettings_FindFeatures_openms
MassSpecSettings_FindFeatures_xcms3_centwave()
MassSpecSettings_FindFeatures_xcms3_centwave
MassSpecSettings_FindFeatures_xcms3_matchedfilter()
MassSpecSettings_FindFeatures_xcms3_matchedfilter
MassSpecSettings_FindInternalStandards_StreamFind()
MassSpecSettings_FindInternalStandards_StreamFind
MassSpecSettings_FindSpectraMaxima_StreamFind()
MassSpecSettings_FindSpectraMaxima_StreamFind
MassSpecSettings_GenerateCompounds_metfrag()
MassSpecSettings_GenerateCompounds_metfrag
MassSpecSettings_GenerateFormulas_genform()
MassSpecSettings_GenerateFormulas_genform
MassSpecSettings_GroupFeatures_openms()
MassSpecSettings_GroupFeatures_openms
MassSpecSettings_GroupFeatures_xcms3_peakdensity()
MassSpecSettings_GroupFeatures_xcms3_peakdensity
MassSpecSettings_GroupFeatures_xcms3_peakdensity_peakgroups()
MassSpecSettings_GroupFeatures_xcms3_peakdensity_peakgroups
MassSpecSettings_IntegrateChromatograms_StreamFind()
MassSpecSettings_IntegrateChromatograms_StreamFind
MassSpecSettings_IntegrateSpectra_StreamFind()
MassSpecSettings_IntegrateSpectra_StreamFind
MassSpecSettings_LoadChromatograms_StreamFind()
MassSpecSettings_LoadChromatograms_StreamFind
MassSpecSettings_LoadFeaturesEIC_StreamFind()
MassSpecSettings_LoadFeaturesEIC_StreamFind
MassSpecSettings_LoadFeaturesMS1_StreamFind()
MassSpecSettings_LoadFeaturesMS1_StreamFind
MassSpecSettings_LoadFeaturesMS2_StreamFind()
MassSpecSettings_LoadFeaturesMS2_StreamFind
MassSpecSettings_LoadMSPeakLists_patRoon()
MassSpecSettings_LoadMSPeakLists_patRoon
MassSpecSettings_LoadMSPeakLists_StreamFind()
MassSpecSettings_LoadMSPeakLists_StreamFind
MassSpecSettings_LoadSpectra_StreamFind()
MassSpecSettings_LoadSpectra_StreamFind
MassSpecSettings_NormalizeSpectra_blockweight()
MassSpecSettings_NormalizeSpectra_blockweight
MassSpecSettings_NormalizeSpectra_meancenter()
MassSpecSettings_NormalizeSpectra_meancenter
MassSpecSettings_NormalizeSpectra_minmax()
MassSpecSettings_NormalizeSpectra_minmax
MassSpecSettings_NormalizeSpectra_scale()
MassSpecSettings_NormalizeSpectra_scale
MassSpecSettings_NormalizeSpectra_snv()
MassSpecSettings_NormalizeSpectra_snv
MassSpecSettings_QuantifyChromatographicPeaks_StreamFind()
MassSpecSettings_QuantifyChromatographicPeaks_StreamFind
MassSpecSettings_SmoothChromatograms_movingaverage()
MassSpecSettings_SmoothChromatograms_movingaverage
MassSpecSettings_SmoothChromatograms_savgol()
MassSpecSettings_SmoothChromatograms_savgol
MassSpecSettings_SmoothSpectra_movingaverage()
MassSpecSettings_SmoothSpectra_movingaverage
MassSpecSettings_SmoothSpectra_savgol()
MassSpecSettings_SmoothSpectra_savgol
MassSpecSettings_SubtractBlankSpectra_StreamFind()
MassSpecSettings_SubtractBlankSpectra_StreamFind
MassSpecSettings_SuspectScreening_forident()
MassSpecSettings_SuspectScreening_forident
MassSpecSettings_SuspectScreening_patRoon()
MassSpecSettings_SuspectScreening_patRoon
MassSpecSettings_SuspectScreening_StreamFind()
MassSpecSettings_SuspectScreening_StreamFind

Raman Settings

RamanSettings_AverageSpectra_StreamFind()
RamanSettings_AverageSpectra_StreamFind
RamanSettings_BinSpectra_StreamFind()
RamanSettings_BinSpectra_StreamFind
RamanSettings_CorrectSpectraBaseline_airpls()
RamanSettings_CorrectSpectraBaseline_airpls
RamanSettings_CorrectSpectraBaseline_baseline_als()
RamanSettings_CorrectSpectraBaseline_baseline_als
RamanSettings_DeleteSpectraSection_StreamFind()
RamanSettings_DeleteSpectraSection_StreamFind
RamanSettings_MergeSpectraTimeSeries_StreamFind()
RamanSettings_MergeSpectraTimeSeries_StreamFind
RamanSettings_NormalizeSpectra_blockweight()
RamanSettings_NormalizeSpectra_blockweight
RamanSettings_NormalizeSpectra_meancenter()
RamanSettings_NormalizeSpectra_meancenter
RamanSettings_NormalizeSpectra_minmax()
RamanSettings_NormalizeSpectra_minmax
RamanSettings_NormalizeSpectra_scale()
RamanSettings_NormalizeSpectra_scale
RamanSettings_NormalizeSpectra_snv()
RamanSettings_NormalizeSpectra_snv
RamanSettings_SmoothSpectra_movingaverage()
RamanSettings_SmoothSpectra_movingaverage
RamanSettings_SmoothSpectra_savgol()
RamanSettings_SmoothSpectra_savgol
RamanSettings_SubtractBlankSpectra_StreamFind()
RamanSettings_SubtractBlankSpectra_StreamFind
RamanSettings_SubtractSpectraSection_StreamFind()
RamanSettings_SubtractSpectraSection_StreamFind

Statistic Settings

StatisticSettings_MakeModel_knn()
StatisticSettings_MakeModel_knn
StatisticSettings_MakeModel_mcrals_mdatools()
StatisticSettings_MakeModel_mcrals_mdatools
StatisticSettings_MakeModel_mcrpure_mdatools()
StatisticSettings_MakeModel_mcrpure_mdatools
StatisticSettings_MakeModel_pca_mdatools()
StatisticSettings_MakeModel_pca_mdatools
StatisticSettings_PrepareData_autoscale()
StatisticSettings_PrepareData_autoscale
StatisticSettings_Quantify_mcrals()
StatisticSettings_Quantify_mcrals

Other MS functions

convert_ms_files()
Function to convert vendor MS files to mzML or mzXML
trim_ms_files_spectra()
Function to trim spectra in mzML or mzXML files
clear_cache()
clear_cache
run_app()
Run the Shiny Application