Skip to content

Using MetaUniDec to Analyze Chromatograms

michaelmarty edited this page Sep 16, 2019 · 3 revisions

First, you will need to convert data into mzML format or a Thermo Raw file.

Then, open MetaUniDec, and hit File > Automatic Chromatogram Parsing > Auto Import Chromatogram By Time. You can select the file and enter a time value to compress. If you enter 1, it will sum each minute into a single spectrum. If you enter 0, it will leave each scan as is. This will create an HDF5 file that you can then open. Note: you can batch process this to process multiple files into HDF5 at once. Also, I would recommend compressing everything down to a few average scans at first and then going to higher time resolution after you understand the process.

You can then deconvolve it and extract peaks as you would in regular UniDec. Note: if you have over 100 spectra, it will default to only plotting 20 of them to speed things up. You can adjust these settings in the Additional Plotting Parameters tab.

After deconvolving several files, you can look at the extracted results from multiple files at once using UltraMeta.