Organizes the IL entries into multiple injections taking into account the user-specified parameters. Outputs a single or multiple csv files that serve as input for the MS to performed MSMS analysis.
exportIL(struct, id, file = "./InclusionList", maxOver = 5, sepFiles = FALSE) # S4 method for RHermesExp,numeric exportIL(struct, id, file = "./InclusionList", maxOver = 5, sepFiles = FALSE)
| struct | The RHermesExp object. |
|---|---|
| id | The IL ID in the RHermesExp object. The IDs are assigned by the order in which the IL are generated. |
| maxOver | Numeric, very important. It's the number of mz-rt segments that can be monitored at the same time by the MS instrument. Higher numbers lead to less injections but the number of scans for each IL entry will be reduced and gives problems when deconvoluting the MS2 spectras. |
| sepFiles | Logical, whether to generate a single csv file or multiple csvs, each corresponding to each injection/chromatographic run. From our experience with an Orbitrap Fusion, separate csvs will simplify the task. |
| folder | A string containing the folder to save the IL csv/s into. By default will be your working directory |
Nothing. As a side effect, it generates one/multiple .csv files with the inclusion list data
if(FALSE){ exportIL(myHermes, 1, 'C:/SomeFolder', maxOver = 5, sepFiles = FALSE) }