average and centroid

[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?

[caetera]

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?

[rmflight]

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.