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Topic: Re: Merge MS Dial exported outputs (Read 94 times) previous topic - next topic - Topic derived from Re: Merge MS Dial exp...

Re: Merge MS Dial exported outputs

Quote from: drchrispook on
Hello Cristina,
if you load each alignment to a dataframe you can use the biggest as a reference. You can iterate over the others row-by-row and test each mz/rt pair for matches against every feature in the reference. When you obtain matches you could aggregate peak areas from both dfs in a new dataframe. This is fairly straightforward in Python.
Chris

Hi, Chris. I am wondering the standard method to merge Alignments results. First, does the mz/rt pair is exactly the same or can have some tolerance? Secondly, do we need to match 'MS1 isotopic spectrum' and 'MS/MS spectrum', both the mz and the intensity?