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Add new spectrum origin type #337

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merged 3 commits into from
Oct 11, 2024
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As pointed out by reviewer of mzSpecLib, existing spectrum origin types are not adequate to classify this type of spectrum, commonly used for DIA analysis.

As pointed out by reviewer of mzSpecLib, existing spectrum origin types are not adequate to classify this type of spectrum, commonly used for DIA analysis.

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what about "reduced spectrum for peptide-centric scoring" or "transition list spectrum" or "selected known product ion spectrum"?

The definition is OK, except that it looks a bit run-on. May need a connector "whose" after the first comma.

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I agree that the definition is ok, the name takes a bit more effort to parse on its own though.

Maybe instead something like "selected fragment observed intensity spectrum"? The "selected" indicates that only a limited set of peaks are included, the "fragment" implicitly indicates that it's known fragments, thus theoretical m/z, and the "observed intensity" indicates that the intensity values are determined experimentally.

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+1 for "selected fragment observed intensity spectrum". It's succinct and conveys the concept and doesn't tie it to any particular domain.

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why not making it a bit more self explanatory? Unless we really want a short name: "Spectrum containing selected fragment ion peaks and experimental intensity"

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  1. "theoretical m/z observed intensity selected fragment spectrum"
  2. "selected fragment theoretical m/z observed intensity spectrum" +++

def: "Spectrum for which the peaks are limited to a subset of known product ions that are important for subsequent identification, whose m/z values are corrected to theoretical values, and intensity values are experimentally derived." [PSI:PI]

@mobiusklein mobiusklein added this pull request to the merge queue Oct 11, 2024
Merged via the queue into master with commit 321d773 Oct 11, 2024
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@bittremieux bittremieux deleted the edeutsch-new-spec-origin-type branch January 17, 2025 16:24
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5 participants