expandMs1Conditions {topdownr} | R Documentation

## Expand MS Conditions

### Description

Create a `data.frame` of all possible combinations of the given arguments. It ensures that just arguments are applied that yield a valid MethodModification.xml file.

### Usage

    expandMs1Conditions(..., family = "Calcium", version = "3.2")

    expandTms2Conditions(
      ActivationType = c("CID", "HCD", "ETD", "UVPD"),
      ...,
      MassList = NULL,
      family = "Calcium",
      version = "3.2"
    )

### Arguments

`...` | further named arguments, used to create the combination of conditions.
`family` | `character`, currently just Calcium is supported
`version` | `character`, currently 3.1, 3.2 (default), 3.3 are supported
`ActivationType` | `character`, ActivationType for TMS2, either CID, HCD, ETD, or UVPD.
`MassList` | `matrix`, 2 columns (mass, z) for targeted mass list, or `NULL` (default) to not overwrite targeted mass.

### Value

`data.frame` with all possible combinations of conditions/settings.

### See Also

`validMs1Settings()`

`validTms2Settings()`, `expand.grid()`

### Examples

    expandMs1Conditions(FirstMass=100, LastMass=400)
    expandTms2Conditions(
         ActivationType="CID",
         OrbitrapResolution="R120K",
         IsolationWindow=1,
         MaxITTimeInMS=200,
         Microscans=as.integer(40),
         AgcTarget=c(1e5, 5e5, 1e6),
         CIDCollisionEnergy=c(NA, seq(7, 35, 7)),
         MassList=cbind(mz=c(560.6, 700.5, 933.7), z=rep(1, 3))
    )

[Package topdownr version 1.12.0 Index]