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Base Classes and Functions for Mass Spectrometry and Proteomics

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Hi , Trying to install this package and getting this error : 119766 Segmentation fault | R_DEFAULT_PACKAGES= LC_COLLATE=C "${R_HOME}/bin/R" $myArgs --no-echo --args ${args} any suggestions ?

I am now doing some intact protein analysis and it was recently demonstrated that when you fragment proteins you produce a lot of internal fragments: http://www.ncbi.nlm.nih.gov/pubmed/25716753 considering these internal fragments...

enhancement

Quantification needs to be reimplemented at the C-level or using on disk access and using basic data types to make full use of the `OnDiskMSnExp` data structure. Quantitation involves peak...

Spectra

Given the new `OnDiskMSnExp` infrastructure, it is time to upgrade the `quantify` method. I am considering the following signature (only focusing on the most important arguments for now): ```r quantify...

feature request
enhancement
Spectra

This issue requests input from @sgibb, @jotsetung and any other interested readers on how to harmonise plotting of MS data (and `MSnExp`, `OnDiskMSnExp` and `Spectrum` objects) in `MSnbase`. currently, we...

Spectra

Hi, I got the following error if I am using the readSRMData function: Fehler: Can not open file C:\Users\DataBlank-Test_Blank.mzML! Original error was: Error in pwizModule$open(filename): [IO::HandlerBinaryDataArray] Unknown binary data type....

I followed the example of mixed imputation on the naset and my own dataset therefore I have 2 questions/possible bugs: 1) In the following example: x

enhancement

This is a follow-up issue to #462. ``` MSnbase::calculateFragments(sequence = "GSDA") mz ion type pos z seq 1 58.02874 b1 b 1 1 G 2 145.06077 b2 b 2 1...

Awaiting response

I have a sequence: "ARTKQTARKSTGGKAPRKQLATKAARKSAPATGGVKKPHRYRPGTVALRE" it contans many Lys, but I want to add a modification (acetylation 42Da to only the second Lys). Based on the calculateFragments() documentation it appears...

Hi, It seems you can only define fixed modifications with calculateFragments(). Am I right? If not, how to do it? I think a feature like this could be useful. Posible...

feature request