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Low level MS processing package #96

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lgatto opened this issue Jun 27, 2016 · 3 comments
Closed

Low level MS processing package #96

lgatto opened this issue Jun 27, 2016 · 3 comments

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@lgatto
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lgatto commented Jun 27, 2016

Hi @sgibb

@jotsetung has been working on MSnbase recently and has added preliminary support for on disk access, so that MSnExp objects remain light (see the MSnbase2 branch if you are interested). This is part of more development that will eventually lead to a new version of xcms and MSnbase and xcms sharing some common data structures.

Yesterday, we discussed about the possibility to have a package that would contain low level MS processing functions (implemented in C and using basic objects only) that could then be used in xcms, MSnbase, ... or wherever needed. I thought it would be good to keep you in the loop as you already have such routines in MALDIquant and might be interested in the project in general.

@sgibb
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sgibb commented Jun 27, 2016

@lgatto thanks for keep me informed. I highly interested in such a package. You are right, MALDIquant already contains a few functions for baseline correction and peak detection written in C and working with basic data types (double) for m/z and intensity values (e.g. SNIP and ConvexHull baseline correction).

@lgatto
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lgatto commented Jun 27, 2016

Cool - will keep you posted when this materialises.

@lgatto
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lgatto commented Jan 11, 2020

We have this now in MsCoreUtils

@lgatto lgatto closed this as completed Jan 11, 2020
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