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- After the initial metabolite-intensity data file is generated by using IsoMS, the zero-fill program is used to fill the missing values of peak-pair ratio to produce a final metabolite-intensity data file. This program automatically looks for missing values starting from the first sample in the data file, finds the 13C-labeled peak of a missing pair based on retention time, m/z and absolute intensity match with those in the raw LC-MS data, finds the 12C-labeled peak of the missing pair in the same MS spectrum, and then calculates the intensity ratio and replaces the missing value in the initial metabolite-intensity data file.
- The zero-fill program written in R (Windows) can be freely downloaded for non-commercial use (download Zero-fill).
- The User Manual (download the PDF file) provides the instructions on installation and use of the zero-fill program.
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