Mass spectrometer output files


Mass spectrometer output files
The data and metadata generated by mass spectrometers, usually one file per run (although some instruments put multiple runs per file). The data may be the original profile mode scans or may already have had some basic processing like centroiding applied. They may be in raw data form where the binary, vendor-specific output files are directly created by the instrument software. These files are typically large (several gigabytes) and require specialized software in order to be read. Or the peak list spectra is in a standardized format such as mzML, mzXML or mzData, but they cannot be ‘processed peak lists’ (like .mgf, .pkl, .dta, .ms2).