Spectra
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rformassspectrometry
Low level infrastructure to handle MS spectra
On-disk backends depend on the (original) data files being available. Moving/copying serialized `Spectra` objects with such backends between file systems or moving the original data files will break their functionality....
Hi there! In our research group we are actively working with MS-imaging (MSI) data and I was wondering about how to properly name and add the spatial coordinates information to...
We have some use cases in which we run some part of the analysis (e.g. the preprocessing using `xcms`) on our cluster, save then the results (which include a `Spectra`)...
This [line](https://github.com/rformassspectrometry/Spectra/blob/1baeb9e0d025f785365d1308d43466b5c5ff986d/R/Spectra-functions.R#L674) uses `is.vector()` to check if a variable is an atomic vector, not only a vector (including a list): ``` > is.vector(1:5) [1] TRUE > is.vector(list()) [1] TRUE >...
Hello, Thank you for maintaining this great tool. I have a problem with importing raw spectra from waters instrumnet. I have installed `MsBackendRawFileReader` and I have passed it as backend...
Chunk-wise processing (#304 ) on peaks data is built-in `.peaksapply` and should be enabled/used in a consistent way. While all methods do already use the same approach two don't: -...
Ion Mobility
Very useful project guys! Sorry if the below can already be found and I missed them. Currently the core variables are msLevel, rtime, scanIndex. Ion mobility can be accessed via...
The `filterPrecursorMaxIntensity()` (see #290) conceptually works as follows: 1. Group spectra based on a given criterion, here those that have the same precursor MZ, 2. Group these or filter one...
This is related to issue #287 and was discussed [here](https://github.com/rformassspectrometry/RforMassSpectrometry/issues/32): change the `MsBackend` API to support `peaksData` to return a `list` of `data.frame` instead (or in addition) to a `list`...
Instead of having all documentation for `Spectra` in one (large) man page, split them by topic: - General `Spectra` documentation including creation. - Subsetting and filtering of `Spectra`. - Data...
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Low level infrastructure to handle MS spectra