R Access to Mass-Spec Data
S3 dollar sign notation for msdata_connection objects
Check that the output data is properly formatted.
Edit mzML/mzXML file retention times
Convert from compressed binary to R numeric vector
Convert from R numeric vector to compressed binary
Get arbitrary metadata from an mzML file by accession number
Grab mass-spectrometry data from file(s)
Grab the BPC or TIC from a file
Extract the DAD data from an mzML nodeset
Get mass-spectrometry data from an mzML file
Helper function to extract mzML file encoding data
Helper function to extract mzML file metadata
Extract the MS1 data from an mzML nodeset
Extract the MS2 data from an mzML nodeset
Extract the MS3 data from an mzML nodeset
Grab the BPC or TIC from a file
Get mass-spectrometry data from an mzXML file
Helper function to extract mzXML file metadata
Helper function to extract mzXML file metadata
Extract the MS1 data from an mzXML nodeset
Extract the MS2 data from an mzXML nodeset
Extract the MS3 data from an mzXML nodeset
Extract the mass-to-charge data from the spectra of an mzXML nodeset
Extract the precursor mass from the spectra of an mzXML nodeset
Extract the retention time from the spectra of an mzXML nodeset
Extract the collison energies from the spectra of an mzXML nodeset
Extract the intensity information from the spectra of an mzML nodeset
Extract the mass-to-charge data from the spectra of an mzML nodeset
Extract the precursor mass from the spectra of an mzML nodeset
Extract the retention time from the spectra of an mzML nodeset
Extract the collison energies from the spectra of an mzML nodeset
Shrink MS data by including only data points near masses of interest
Shrink mzML files by including only data points near masses of interes...
Shrink mzxML files by including only data points near masses of intere...
S3 constructor for msdata_connection
Group m/z values into bins of a specified ppm width
Convert node to data.table
Plus/minus parts per million
S3 print option for msdata_connection objects
Quick plot for MS data
RaMS: R Access to Mass-Spec Data
Objects exported from other packages
S3 indexing for msdata_connection objects
Maker of tmzML documents
Trapezoidal integration of mass-spec retention time / intensity values
R-based access to mass-spectrometry (MS) data. While many packages exist to process MS data, many of these make it difficult to access the underlying mass-to-charge ratio (m/z), intensity, and retention time of the files themselves. This package is designed to format MS data in a tidy fashion and allows the user perform the plotting and analysis.