MS1 mass accuracy parameter availability

[pleeferguson]

Hi,

I notice that there are some mismatches between the parameters available in the CLI vs. within the API. One important example is ppmMax within the formula prediction tool parameters, specifying the mass accuracy in MS1 for formula candidate selection. This property is settable from the CLI, however within the API, massAccuracyMS2ppm is available, but there is no such parameter available for MS1 accuracy. This is particularly important for cases where mass accuracies of MS1 and MS2 spectra are expected to be somewhat different (e.g. different analyzers).