| Add column |
to an existing dataset |
|
3 |
| AdditiveSeries |
Computes an additive series to quantify a peptide in a set of samples. |
|
4 |
| Align Samples |
- Align peaks across Peaklists |
|
1 |
| BaselineFilter |
Removes the baseline from profile spectra using a top-hat filter. |
|
3 |
| Batch_correction |
Corrects intensities for signal drift and batch-effects |
|
8 |
| BATMAN |
Deconvolves resonance peaks from NMR spectra of complex mixtures and obtains concentration estimates for the corresponding metabolites automatically. |
|
1 |
| Biosigner |
Molecular signature discovery from omics data |
|
3 |
| Blank Filter |
- Remove 'blank' peaks from the biological mass spectra |
|
1 |
| blank-effect |
determines the blank effect (percentage) of each compound. |
|
1 |
| Boxplot |
of quality statistics |
|
2 |
| bruker2batman Converter |
Bruker NMR files to BATMAN converter |
|
1 |
| camera-annotate-peaks |
Generate xsAnnotate object used for further CAMERA processing. |
|
1 |
| camera-find-adducts |
Perform precursor adduct annotation using CAMERA. |
|
1 |
| camera-find-isotopes |
Perform isotope annotation using CAMERA. |
|
1 |
| camera-group-corr |
Peak grouping after correlation information into pseudospectrum groups for an xsAnnotate object. |
|
1 |
| camera-group-fwhm |
Group peaks of a xsAnnotate object according to there retention time into pseudospectra-groups. Uses the peak FWHMs as grouping borders. |
|
1 |
| camera-prepareoutput |
Prepare output for doing multi/uni variate |
|
1 |
| cameraToFeatureXML |
Converts CAMERA object to featureXML file |
|
1 |
| cast |
expand combinations of variables:values to columnar format |
|
2 |
| cdf2mid |
Starting from a set of netCDF files, it evaluates the peaks of mass isotopomer distribution (MID) for metabolites of interest, making them ready for the next step of the workflow: correction for natural isotope occurrence. |
|
1 |
| Change Case |
of selected columns |
|
1 |
| CML to InChI |
|
|
2 |
| CML to mol2 |
|
|
2 |
| CML to SDF |
|
|
2 |
| CML to SMILES |
|
|
2 |
| Compare Bruker NMR/metabolites |
Compare specific metabolite levels in two NMR spectra |
|
1 |
| Compare two Datasets |
to find common or distinct rows |
|
1 |
| CompNovo |
Performs a de novo peptide identification using the CompNovo engine. |
|
3 |
| CompNovoCID |
Performs a de novo peptide identification using the CompNovo engine. |
|
3 |
| Condense |
consecutive characters |
|
2 |
| ConsensusID |
Computes a consensus of peptide identifications of several identification engines. |
|
4 |
| ConsensusMapNormalizer |
Normalizes maps of one consensusXML file |
|
3 |
| consensusXMLToXcms |
Converts consensusXML file to xcmsSet |
|
1 |
| Convert |
delimiters to TAB |
|
1 |
| Convert BCF to uncompressed BCF |
|
|
1 |
| Convert BED to Feature Location Index |
|
|
1 |
| Convert BED to GFF |
|
|
1 |
| Convert Biom1 to Biom2 |
|
|
1 |
| Convert Biom2 to Biom1 |
|
|
1 |
| Convert DIMSpy-based HDF5 to tsv |
|
|
1 |
| Convert FASTA to 2bit |
|
|
2 |
| Convert FASTA to Bowtie base space Index |
|
|
1 |
| Convert FASTA to Bowtie color space Index |
|
|
1 |
| Convert FASTA to fai file |
|
|
1 |
| Convert FASTA to len file |
|
|
1 |
| Convert FASTA to Tabular |
|
|
1 |
| Convert Genomic Intervals To BED |
|
|
1 |
| Convert Genomic Intervals To Coverage |
|
|
2 |
| Convert Genomic Intervals To Strict BED |
|
|
1 |
| Convert Genomic Intervals To Strict BED12 |
|
|
1 |
| Convert Genomic Intervals To Strict BED6 |
|
|
1 |
| Convert GFF to BED |
|
|
1 |
| Convert GFF to Feature Location Index |
|
|
1 |
| Convert Len file to Linecount |
|
|
1 |
| Convert lped to fped |
|
|
1 |
| Convert lped to plink pbed |
|
|
1 |
| Convert MAF to Fasta |
|
|
1 |
| Convert MAF to Genomic Intervals |
|
|
1 |
| Convert Picard Interval List to BED6 |
converter |
|
1 |
| Convert plink pbed to ld reduced format |
|
|
1 |
| Convert plink pbed to linkage lped |
|
|
1 |
| Convert Ref taxonomy to Seq Taxonomy |
converts 2 or 3 column sequence taxonomy file to a 2 column mothur taxonomy_outline format |
|
1 |
| Convert SAM to BAM |
|
|
1 |
| Convert tabular to dbnsfp |
|
|
1 |
| Convert uncompressed BCF to BCF |
|
|
1 |
| Count |
occurrences of each record |
|
2 |
| Create single interval |
as a new dataset |
|
1 |
| Decharger |
Decharges and merges different feature charge variants of the same peptide. |
|
3 |
| DTAExtractor |
Extracts spectra of an MS run file to several files in DTA format. |
|
4 |
| ecomet_concentration |
Show concentration of species profiles |
|
1 |
| ecomet_download |
Download MTBLS study via https |
|
1 |
| ecomet_ecology_varpart |
Perform variation partitioning on study factors |
|
1 |
| ecomet_import_maf |
Import MAF file from the MTBLS study |
|
1 |
| ecomet_import_traits |
Import and process ecological characteristics file of the MTBLS study |
|
1 |
| ecomet_peak_picking |
Peak picking of the profiles in the MTBLS study |
|
1 |
| ecomet_phylogeny |
Perform phylogeny comparison analysis |
|
1 |
| ecomet_preparations |
Preparations for MTBLS study |
|
1 |
| ecomet_qc_extract |
Extract QC files from MTBLS study |
|
1 |
| ecomet_quality_control |
Quality Control of the MTBLS study |
|
1 |
| ecomet_raw_extract |
Extract RAW files from MTBLS study |
|
1 |
| ecomet_seasons_concentration |
Calculate seasons concentrations |
|
1 |
| ecomet_seasons_features |
Calculate seasons total features |
|
1 |
| ecomet_seasons_nmds |
Perform Nonmetric Multidimensional Scaling (NMDS) for the seasons |
|
1 |
| ecomet_seasons_rda |
Perform constrained distance-based redundancy analysis (dbRDA) for the factor seasons |
|
1 |
| ecomet_seasons_shannon |
Calculate Shannon diversity index for the seasons |
|
1 |
| ecomet_seasons_unique |
Calculate seasons unique features |
|
1 |
| ecomet_seasons_variability |
Show seasons variability |
|
1 |
| ecomet_species_diversity |
Generate matrix of various species diversity indices |
|
1 |
| ecomet_species_features |
Calculate species total features |
|
1 |
| ecomet_species_marchantia |
Exemplary annotation of MS1 features in the profile of Marchantia polymorpha |
|
1 |
| ecomet_species_rda |
Perform distance-based redundancy analysis (dbRDA) on the species with ecological characteristics |
|
1 |
| ecomet_species_shannon |
Calculate Shannon diversity index for the species |
|
1 |
| ecomet_species_unique |
Calculate species unique features |
|
1 |
| ecomet_species_variability |
Claculate species variability |
|
1 |
| ecomet_species_varpart |
Perform variation partitioning on the species |
|
1 |
| ecomet_species_venn |
Create Venn diagrams for seasonal variability of species features |
|
1 |
| EICExtractor |
Extracts intensities from dedicates positions in a LC/MS map |
|
3 |
| escher-fluxomics |
Visualize fluxomics data on pre-layouted metabolic maps with Escher. |
|
1 |
| export-measurements |
as sample/compound matrix. |
|
1 |
| ExternalCalibration |
Applies an external mass recalibration. |
|
4 |
| FalseDiscoveryRate |
Estimates the false discovery rate on peptide and protein level using decoy searches. |
|
3 |
| FeatureFinderCentroided |
Detects two-dimensional features in LC-MS data. |
|
3 |
| FeatureFinderIdentification |
Detects features in MS1 data based on peptide identifications. |
|
3 |
| FeatureFinderIsotopeWavelet |
Detects two-dimensional features in LC-MS data. |
|
3 |
| FeatureFinderMetabo |
Assembles metabolite features from centroided (LC-)MS data using the mass trace approach. |
|
3 |
| FeatureFinderMRM |
Detects two-dimensional features in LC-MS data. |
|
3 |
| FeatureFinderMultiplex |
Determination of peak ratios in LC-MS data |
|
4 |
| FeatureLinkerLabeled |
Groups corresponding isotope-labeled features in a feature map. |
|
3 |
| FeatureLinkerUnlabeled |
Groups corresponding features from multiple maps. |
|
3 |
| FeatureLinkerUnlabeledQT |
Groups corresponding features from multiple maps. |
|
3 |
| featureXMLToCAMERA |
Converts featureXML file to CAMERA |
|
1 |
| featureXMLToXcms |
Converts featureXML file to xcmsSet |
|
1 |
| FidoAdapter |
Runs the protein inference engine Fido. |
|
5 |
| FileConverter |
Converts between different MS file formats. |
|
4 |
| FileFilter |
Extracts or manipulates portions of data from peak, feature or consensus-feature files. |
|
4 |
| FileInfo |
Shows basic information about the file, such as data ranges and file type. |
|
3 |
| FileMerger |
Merges several MS files into one file. |
|
3 |
| Filter |
data on any column using simple expressions |
Formatting
|
1 |
| Fingerprint_Clustering |
performs unsupervised clustering and automatically determine the best number of cluster |
|
1 |
| Fingerprint_Subnetwork |
calculates distance between metabolites in a network |
|
1 |
| Generic_Filter |
Removes elements according to numerical or qualitative values |
|
4 |
| Get peaklists |
or an average peaklist from a Peak Intensity Matrix |
|
1 |
| Group |
data by a column and perform aggregate operation on other columns. |
|
3 |
| HighResPrecursorMassCorrector |
Corrects the precursor mass and charge determined by the instrument software. |
|
3 |
| IDConflictResolver |
Resolves ambiguous annotations of features with peptide identifications |
|
4 |
| IDFileConverter |
Converts identification engine file formats. |
|
4 |
| IDFilter |
Filters results from protein or peptide identification engines based on different criteria. |
|
3 |
| IDMapper |
Assigns protein/peptide identifications to features or consensus features. |
|
3 |
| IDMerger |
Merges several protein/peptide identification files into one file. |
|
3 |
| IDPosteriorErrorProbability |
Estimates probabilities for incorrectly assigned peptide sequences and a set of search engine scores using a mixture model. |
|
3 |
| IDRipper |
Split protein/peptide identification file into several files according to annotated file origin. |
|
3 |
| IDRTCalibration |
Can be used to calibrate RTs of peptide hits linearly to standards. |
|
3 |
| InChI to CML |
|
|
2 |
| InChI to MOL |
|
|
2 |
| InChI to MOL2 |
|
|
2 |
| InChI to SDF |
|
|
2 |
| InChI to SMILES |
|
|
2 |
| InclusionExclusionListCreator |
Creates inclusion and/or exclusion lists. |
|
3 |
| InspectAdapter |
Annotates MS/MS spectra using Inspect. |
|
4 |
| InternalCalibration |
Applies an internal mass recalibration. |
|
4 |
| is-rsd |
determines RSD of the internal standard(s). |
|
1 |
| ISA to mzData |
Extract mzData files from an ISA dataset and output a collection of mzData dataset. |
|
1 |
| ISA to mzML |
Extract mzML files from an ISA dataset and output a collection of mzML dataset. |
|
1 |
| ISA to mzXML |
Extract mzXML files from an ISA dataset and output a collection of mzXML dataset. |
|
1 |
| ISA to netCDF |
Extract netCDF files from an ISA dataset and output a collection of netCDF dataset. |
|
1 |
| ISA to nmrML |
Extract nmrML files from an ISA dataset and output a collection of nmrML dataset. |
|
1 |
| ISA to W4M |
Convert ISA data type into W4M format |
|
1 |
| isa_factors_viz |
Produce a visualization of study factors and groups from an ISA study. |
|
1 |
| isa_get_factors_summary |
Produce a summary table of variable factors of a ISA study |
|
1 |
| isacreate_metabo |
Create ISA templates for metabolomics based on study design information. |
|
1 |
| ISAslicer2 |
Query and get a slice of data files from an ISA study |
|
1 |
| ISAslicer2_data_filter |
Filters data files based on ISAslicer2 slices |
|
1 |
| isatab2json |
Converts an ISA-Tab to ISA-JSON |
|
1 |
| isatab_validator |
Produce a validation report on an ISA-Tab ZIP archive |
|
1 |
| iso2flux |
13C Metabolic Flux Analysis on a sub-network of a large scale model. |
|
1 |
| IsobaricAnalyzer |
Calculates isobaric quantitative values for peptides |
|
3 |
| isodyn |
C++ program simulating the dynamics of metabolites and their isotopic isomers in central metabolic network using kinetic model |
|
1 |
| iterative-signature-algorithm |
Iterative Signature Algorithm [ISA] |
|
1 |
| ITRAQAnalyzer |
Calculates iTRAQ quantitative values for peptides |
|
1 |
| Join two Datasets |
side by side on a specified field |
|
3 |
| LCMS matching |
Annotation of LCMS peaks using matching on a in-house spectra database or on PeakForest spectra database. |
|
8 |
| Line/Word/Character count |
of a dataset |
|
1 |
| LuciphorAdapter |
Modification site localisation using LuciPHOr2. |
|
3 |
| map-msms2camera |
Map MS/MS spectra to CAMERA annotations by retention time and m/z information. |
|
1 |
| MapAlignerIdentification |
Corrects retention time distortions between maps based on common peptide identifications. |
|
2 |
| MapAlignerPoseClustering |
Corrects retention time distortions between maps using a pose clustering approach. |
|
3 |
| MapAlignerSpectrum |
Corrects retention time distortions between maps by spectrum alignment. |
|
2 |
| MapNormalizer |
Normalizes peak intensities in an MS run. |
|
3 |
| MapRTTransformer |
Applies retention time transformations to maps. |
|
4 |
| MapStatistics |
Extract extended statistics on the features of a map for quality control. |
|
3 |
| MascotAdapter |
Annotates MS/MS spectra using Mascot. |
|
3 |
| MascotAdapterOnline |
Annotates MS/MS spectra using Mascot. |
|
3 |
| MassTraceExtractor |
Detects mass traces in centroided LC-MS data. |
|
2 |
| melt |
collapse combinations of variables:values to single lines |
|
2 |
| Merge Columns |
together |
|
2 |
| Merge peaklists |
produced by the tools 'Process scans (and SIM-Stitch)' or 'Replicate filter' |
|
1 |
| Metabolab |
Processing vendor raw data for Multivariate analysis |
|
1 |
| Metabolights downloader |
Import public and private MetaboLights studies |
|
1 |
| MetaboLights Labs Uploader |
Uploads data to a user workspace's within the MetaboLights Labs staging area at the European Bioinformatics Institute (EBI). |
|
1 |
| Metabolite_ID_Converter |
Enrich Metabolomic output datasets |
|
1 |
| metabomatching |
metabomatching |
|
1 |
| metfrag-aggregatemetfrag |
Aggregate results from MetFrag |
|
1 |
| metfrag-cli-batch |
Run MetFrag with a given parameter set. |
|
1 |
| metfrag-cli-batch-multiple |
Run MetFrag with a multiple parameter set on one node. |
|
1 |
| metfrag-passatuttoPEP |
Convert Metfrag scores to PEP |
|
1 |
| metfrag-vis |
Generate a PDF summary for MetFrag result files |
|
1 |
| metfrag-vis-multiple |
Generate a PDF summary for MetFrag result files. |
|
1 |
| metfragcli |
Run a single MetFrag query given a MS/MS peak list and the precursor m/z or molecular formula. |
|
1 |
| midcor |
corrects 13C mass isotopomers spectra of metabolites for natural occurring isotopes and peaks overlapping. |
|
1 |
| MOL to CML |
|
|
2 |
| MOL to MOL2 |
|
|
2 |
| MOL to SMILES |
|
|
2 |
| MOL2 to CML |
|
|
2 |
| MOL2 to InChI |
|
|
2 |
| MOL2 to MOL |
|
|
2 |
| MOL2 to SDF |
|
|
2 |
| MOL2 to SMILES |
|
|
2 |
| MRMMapper |
MRMMapper maps measured chromatograms (mzML) and the transitions used (TraML) |
|
3 |
| ms-vfetc |
is able to convert MS vendor exports to a generic tabular file. |
|
1 |
| msconvert2 |
Converts vendor RAW MS to mzML. |
|
1 |
| MSGFPlusAdapter |
MS/MS database search using MS-GF+. |
|
4 |
| msms2metfrag |
Generate MetFrag parameters given MS/MS spectral information and CAMERA adduct annotation. |
|
1 |
| msms2metfrag-multiple |
Generate MetFrag parameters (merged in one file) given MS/MS spectral information and CAMERA adduct annotation. |
|
1 |
| msnbase-filter-merge-msms |
Filter and merge MS/MS spectra using retention time and m/z information. |
|
1 |
| msnbase-read-msms |
Read MS/MS spectra from mzML file(s). |
|
1 |
| mtbls_nmr_raw_importer |
Import NMR data from MetaboLights |
|
1 |
| Multivariate |
PCA, PLS and OPLS |
|
7 |
| mw2isatab |
A tool to obtain an ISA document from NIH Metabolomics Workbench |
|
1 |
| MyriMatchAdapter |
Annotates MS/MS spectra using MyriMatch. |
|
1 |
| mzml2isa |
Parser to get meta information from mzML files and create an ISA-Tab structure |
|
1 |
| MzTabExporter |
Exports various XML formats to an mzTab file. |
|
3 |
| nmrML2BATMAN Converter |
nmrML files to BATMAN converter |
|
1 |
| nmrml2isa |
Parser to get meta information from nmrML files and create an ISA-Tab structure |
|
1 |
| nmrmlconv |
Converts vendor NMR RAW data to nmrML format. |
|
1 |
| NoiseFilterGaussian |
Removes noise from profile spectra by using Gaussian filter (on uniform as well as non-uniform data). |
|
3 |
| NoiseFilterSGolay |
Removes noise from profile spectra by using a Savitzky Golay filter. Requires uniform (equidistant) data. |
|
4 |
| Normalization |
Normalization of (preprocessed) spectra |
|
4 |
| OMSSAAdapter |
Annotates MS/MS spectra using OMSSA. |
|
1 |
| OpenSwathAnalyzer |
Picks peaks and finds features in an SRM experiment. |
|
3 |
| OpenSwathAssayGenerator |
Generates assays according to different models for a specific TraML |
|
3 |
| OpenSwathChromatogramExtractor |
Extract chromatograms (XIC) from a MS2 map file. |
|
2 |
| OpenSwathConfidenceScoring |
Compute confidence scores for OpenSwath results |
|
4 |
| OpenSwathDecoyGenerator |
Generates decoys according to different models for a specific TraML |
|
4 |
| OpenSwathFeatureXMLToTSV |
Converts a featureXML to a mProphet tsv. |
|
3 |
| OpenSwathRTNormalizer |
This tool will take a description of RT peptides and their normalized retention time to write out a transformation file on how to transform the RT space into the normalized space. |
|
4 |
| PAPY |
Power Analysis Tool |
|
1 |
| Paste |
two files side by side |
|
1 |
| Pathway_Enrichment |
predicts differences in metabolomic pathway expression among a (human) network (Recon v2.03) |
Database comparison
Enrichment analysis
|
1 |
| PeakPickerHiRes |
Finds mass spectrometric peaks in profile mass spectra. |
|
4 |
| PeakPickerWavelet |
Finds mass spectrometric peaks in profile mass spectra. |
|
4 |
| PepNovoAdapter |
Adapter to PepNovo supporting all PepNovo command line parameters. The results are converted from the PepNovo text outfile format into the idXML format. |
|
1 |
| PeptideIndexer |
Refreshes the protein references for all peptide hits. |
|
3 |
| PhosphoScoring |
Scores potential phosphorylation sites in order to localize the most probable sites. |
|
3 |
| plot-compounds |
plots the retention time shifts, area, internal standard, and qc-corrected information of all compounds. |
|
1 |
| PrecursorIonSelector |
PrecursorIonSelector |
|
3 |
| PrecursorMassCorrector |
Corrects the precursor entries of MS/MS spectra, by using MS1 information. |
|
4 |
| Process Scans (and SIM-Stitch) |
- Read, filter and average MS scans |
|
1 |
| ProteinInference |
Protein inference based on the number of identified peptides. |
|
3 |
| ProteinQuantifier |
Compute peptide and protein abundances |
|
3 |
| ProteinResolver |
protein inference |
|
3 |
| PTModel |
Trains a model for the prediction of proteotypic peptides from a training set. |
|
3 |
| PTPredict |
predicts the likelihood of peptides to be proteotypic via svm_model which is trained by PTModel |
|
3 |
| qc-correction |
applies qc-correction to the data. |
|
1 |
| qc-rsd |
determines RSD QC. |
|
1 |
| Quality Metrics |
Metrics and graphics to check the quality of the data |
|
5 |
| ramid |
Evaluates the peaks of mass isotopomer distribution (MID), making them ready for correction for natural isotope occurrence. |
|
1 |
| Remove beginning |
of a file |
|
1 |
| rep-rsd |
determines RSD replicates. |
|
1 |
| Replicate Filter |
- Remove peaks that fail to appear in at least x-out-of-n (technical) replicates |
|
1 |
| rnmr1d |
Preprocessing RAW NMR data with macro-commands. |
|
1 |
| rnmr1d-prepare-output |
Prepare output to be used for statistics |
|
1 |
| rnmr1d-stacked-plot |
Draw stacked plot of NMR FID. |
|
1 |
| rt-shifts |
calculates retention time shifts. |
|
1 |
| RTModel |
Trains a model for the retention time prediction of peptides from a training set. |
|
3 |
| RTPredict |
Predicts retention times for peptides using a model trained by RTModel. |
|
3 |
| Sample Filter |
- Remove peaks that fail to appear in x-out-of-n (biological) samples |
|
1 |
| save_chromatogram |
Saves the chromatogram in CSV format of an mzML, mzXML, mzData or netCDF file. |
|
1 |
| SDF to CML |
|
|
2 |
| SDF to InChI |
|
|
2 |
| SDF to mol2 |
|
|
2 |
| SDF to SMILES |
|
|
2 |
| Secure Hash / Message Digest |
on a dataset |
|
1 |
| SeedListGenerator |
Generates seed lists for feature detection. |
|
2 |
| Select |
lines that match an expression |
|
1 |
| Select random lines |
from a file |
|
2 |
| show_chromatogram |
Show the base peak chromatogram of a raw mzML, mzXML, mzData or netCDF file. |
|
1 |
| SMILES to CML |
|
|
2 |
| SMILES to InChI |
|
|
2 |
| SMILES to MOL |
|
|
2 |
| SMILES to MOL2 |
|
|
2 |
| SMILES to SDF |
|
|
2 |
| SMILES to SMILES |
|
|
2 |
| Sort |
data in ascending or descending order |
|
2 |
| Species NMDS |
Perform NMDS on species |
|
1 |
| SpecLibSearcher |
Identifies peptide MS/MS spectra by spectral matching with a searchable spectral library. |
|
2 |
| SpectraFilterBernNorm |
Applies thresholdfilter to peak spectra. |
|
3 |
| SpectraFilterMarkerMower |
Applies thresholdfilter to peak spectra. |
|
3 |
| SpectraFilterNLargest |
Applies thresholdfilter to peak spectra. |
|
4 |
| SpectraFilterNormalizer |
Normalizes intensity of peak spectra. |
|
4 |
| SpectraFilterParentPeakMower |
Applies thresholdfilter to peak spectra. |
|
3 |
| SpectraFilterScaler |
Applies thresholdfilter to peak spectra. |
|
3 |
| SpectraFilterSqrtMower |
Applies thresholdfilter to peak spectra. |
|
3 |
| SpectraFilterThresholdMower |
Applies thresholdfilter to peak spectra. |
|
4 |
| SpectraFilterWindowMower |
Applies thresholdfilter to peak spectra. |
|
3 |
| SpectraMerger |
Merges spectra (each MS level separately), increasing S/N ratios. |
|
4 |
| Summary Statistics |
for any numerical column |
|
3 |
| TextExporter |
Exports various XML formats to a text file. |
|
3 |
| TMTAnalyzer |
Calculates TMT quantitative values for peptides |
|
1 |
| TOFCalibration |
Applies time of flight calibration. |
|
3 |
| Transformation |
Transforms the dataMatrix intensity values |
|
4 |
| Trim |
leading or trailing characters |
|
1 |
| Univariate |
Univariate statistics |
|
6 |
| Unzip Data Collection |
Create a collection by unzipping a zip archive. |
|
1 |
| Upload File |
from your computer |
|
2 |
| Wiggle to Interval |
|
|
1 |
| xcms-blankfilter |
Filters out the peaks that have higher intensities in blank samples compare to selected samples. |
|
1 |
| xcms-collect-peaks |
Combine XCMS-Set objects into one collection used for further processing. |
|
1 |
| xcms-correct-rt |
Correct differences between retention times between different samples using the `retcor` generic method. |
|
1 |
| xcms-dilutionfilter |
Filters out the peaks that do not correlate with a dilution trend. |
|
1 |
| xcms-fill-peaks |
For each sample, identify peak groups where that sample is not represented. For each of those peak groups, integrate the signal in the region of that peak group and create a new peak. |
|
1 |
| xcms-find-peaks |
Find peaks in mzML file and generate a xcmsSet using XCMS centWave algorithm. |
|
1 |
| xcms-group-peaks |
Group (or align) peaks using the XCMS `group` generic method. |
|
1 |
| xcmssplit |
Split xcmsSet collection into several objects used for further processing. |
|
1 |
| XTandemAdapter |
Annotates MS/MS spectra using X! Tandem. |
|
4 |
| Zip Data Collection |
Create a zip archive of a data collection. |
|
1 |
| ZIP nmrML Collection |
Create a zip archive of a nmrML collection. |
|
1 |