Cdf2mid is an R-program that extracts mass isotopomer distributions (MID) for metabolites of interest from raw mass spectrometer data saved in netCDF format. This upgrade extends the area of applicability of the program. It allows working with more complex netCDF files that contain mass spectra for all the metabolites of interest in possibly overlapping m/z intervals. It takes additional information necessary to analyze the metabolites spectra, such as retention time, m/z for lightest isotopomer, etc, from a simple txt file. This is its difference from Ramid, that is designed to take such information from a file exchangeable with the database Metabilights, i.e. capable to analyze the data already presented in Metabolights. After extraction of MID Cdf2mid saves the data in a file exchengeable with Metabolights.
Cdf2mid is an R-program that extracts mass isotopomer distributions (MID) for metabolites of interest from raw mass spectrometer data saved in netCDF format. This upgrade extends the area of applicability of the program. It allows working with more complex netCDF files that contain mass spectra for all the metabolites of interest in possibly overlapping m/z intervals. It takes additional information necessary to analyze the metabolites spectra, such as retention time, m/z for lightest isotopomer, etc, from a simple txt file. This is its difference from Ramid, that is designed to take such information from a file exchangeable with the database Metabilights, i.e. capable to analyze the data already presented in Metabolights. After extraction of MID Cdf2mid saves the data in a file exchengeable with Metabolights.