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average and centroid #135

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@rmflight

Is there any kind of way to use ThermoRawFileParser for a profile acquired sample to:

  1. Merge a subset of scans
  2. Centroid the merged scans

Or is it only possible to centroid the individual scans?

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  1. caetera commented on Mar 17, 2022

    @caetera
    Contributor

    Hi @rmflight,

    this kind of processing is not yet implemented in TRFP. Some sort of averaging is available from the RAW-reading library. I have never touched it though, and, thus, don't know how good/bad it works. I can give it a try. I wonder, however, what would be the best (most convinent) way to implement it from a user point of view. Do you thing extending query option will be the way to go?

  2. rmflight commented on Mar 17, 2022

    @rmflight
    Author

    I think within query would be the most appropriate yes, given that the options there already seem appropriate for working with subsets of scans.

    Either there, or as another sub-command specifically. But then most of the options would probably look just like query.

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