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ProMass Processing Overview

Author:   Mark Hail  
Posted: 3/8/02; 8:42:03 AM
Topic: ProMass Processing Overview
Msg #: 128 (top msg in thread)
Prev/Next: 127/129
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ProMass can process data either automatically from an Xcalibur sequence list or in a fully interactive mode (i.e., manually) from the Build ZNova Params screen.

Automatic Processing

In order to process data automatically using ProMass you need:

  • An Xcalibur sample list with associated data files - this is the data we want to deconvolute
  • An Xcalibur processing method - this tells Xcalibur how to process chromatographic peaks into summed mass spectra
  • A ZNova parameter file - this tells ZNova (the deconvolution algorithm) how the individual raw mass spectra should be deconvoluted

If you keep these basic requirements in mind, the steps for running ProMass in an automated mode are actually quite simple.  When setting up sequences, processing methods, and parameter files, try to take a template approach.  In other words, re-use what you have setup previously, and just make the necessary modifications for processing new data files.  This will save you a lot of time and confusion.  If you are new to Xcalibur and automated processing, it may take you a while to get the hang of this.  How to run ProMass gives all the details for setting up automated processing.

Fully Interactive Processing

You can also process spectra one at a time.  You might choose this method for infusion data for example.  To do this kind of processing all you need is an Xcalibur data file.  You copy spectra to the clipboard and process them individually using the paste from clipboard function in the Build ZNova Params screen.




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