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| metaMS-package | Analysis pipeline for MS-based metabolomics data |
| addRI | Add retention index information to an msp object |
| alignmentLC | LC alignment |
| AnnotateFeature | Annotate a Peaktable |
| AnnotateTable | Annotate a Peaktable |
| annotations2tab | Conversion of a list of annotation results into a table |
| construct.msp | Functions to handle msp-type objects (GC-MS) |
| constructExpPseudoSpectra | Create a list of all pseudospectra found in a GC-MS experiment of several samples. |
| createSTDdbGC | Create an in-house database for GC-MS annotation |
| createSTDdbLC | Create an in-house database for LC-MS annotation |
| DB | Information on three chemical standards measured in GC-MS (liquid injection) |
| errf | Mass error surface for Waters Synapt Q-TOF spectrometers |
| exptable | Sample table for the generation of a database of standards (LCMS) |
| FEMsettings | Example settings for 'metaMS' |
| filter.msp | Functions to handle msp-type objects (GC-MS) |
| GCresults | Results of metaMS for a small GC-MS data set |
| generateStdDBGC | Create an in-house database for GC-MS annotation |
| generateStdDBLC | Create an in-house database for LC-MS annotation |
| getAnnotationLC | Get LC annotation |
| getAnnotationMat | Obtain relative quantitative annotation results for GC-MS |
| getFeatureInfo | Construct an object containing all meta-information of the annotated pseudospectra (GC-MS). |
| getPeakTable | Extract a peak table from an xcms or CAMERA object |
| LCDBtest | Sample DB for LC-MS annotation |
| LCresults | Result metaMS for a small LC-MS data set |
| LCxset | Result metaMS for a small LC-MS data set |
| makeAnnotation | Conversion of a list of annotation results into a table |
| match.unannot.patterns | Compare pseudospectra across samples (GC-MS) |
| match2ExtDB | Match GC-MS spectra to an external reference DB |
| matchExpSpec | Match a GC-MS pseudospectrum to a database with a weighted crossproduct criterion. |
| matchSamples2DB | Match pseudospectra from several samples to an in-house DB (GC-MS) |
| matchSamples2Samples | Compare pseudospectra across samples (GC-MS) |
| metaMS | Analysis pipeline for MS-based metabolomics data |
| metaMSsettings | Class '"metaMSsettings"' |
| metaMSsettings-class | Class '"metaMSsettings"' |
| metaSetting | Get or set values in metaMSsettings objects |
| metaSetting-method | Get or set values in metaMSsettings objects |
| metaSetting<- | Get or set values in metaMSsettings objects |
| metaSetting<--method | Get or set values in metaMSsettings objects |
| msp | Functions to handle msp-type objects (GC-MS) |
| mzmatch | Match a GC-MS pseudospectrum to a database with a weighted crossproduct criterion. |
| peakDetection | Wrapper for XCMS peak detection, to be used for both GC-MS and LC-MS data. |
| plotPseudoSpectrum | Plot a pseudospectrum. |
| printInfo | Functions for metaMS-formatted text output |
| printString | Functions for metaMS-formatted text output |
| printWarning | Functions for metaMS-formatted text output |
| processStandards | Process input files containing raw data for pure standards. |
| read.msp | Functions to handle msp-type objects (GC-MS) |
| readStdInfo | Read information of GC injections of standards from a csv file |
| relInt | Obtain relative quantitative annotation results for GC-MS |
| removeDoubleMasses | Remove double m/z entries in a pseudospectrum |
| runCAMERA | The CAMERA element in the metaMS pipeline |
| runGC | Wrapper for processing of GC-MS data files |
| runLC | Wrapper for processing of LC-MS data files |
| show-method | Class '"metaMSsettings"' |
| smallDB | Information on three chemical standards measured in GC-MS (liquid injection) |
| stdInfo | Information on three chemical standards measured in GC-MS (liquid injection) |
| Synapt.NP | Example settings for 'metaMS' |
| Synapt.RP | Example settings for 'metaMS' |
| threeStdsDB | Information on three chemical standards measured in GC-MS (liquid injection) |
| threeStdsInfo | Information on three chemical standards measured in GC-MS (liquid injection) |
| threeStdsNIST | Information on three chemical standards measured in GC-MS (liquid injection) |
| to.msp | Functions to handle msp-type objects (GC-MS) |
| treat.DB | Scaling of pseudospectra in an msp object |
| TSQXLS.GC | Example settings for 'metaMS' |
| write.msp | Functions to handle msp-type objects (GC-MS) |
| xset2msp | Functions to handle msp-type objects (GC-MS) |