README.md

In SiggiSmara/ShinyFIAMSSS: Flow Injection Analysis Mass Spectrometry System Suitability

ShinyFIAMSSS

Flow Injection Analysis Mass Spectrometry System Suitability

A tool to assess system suitability of a FIA MS (MRM type) setup

Origins

The origins of this package is to support the system suitability checking of the FIA part of the Biocrates assay (http:www.biocrates.com) as analyzed on a Sciex mass spectrometer.

There are functions on the data side that are specific for that origin and may or may not be generally applicable.

Application

Allowing an easier way to assess both the daily variance of spiked analytes and blanks as well as how they compare over time.

Install the package

The package relies on several packages, most importantly both shiny and xcms. It also allows on the package version of shiny-directory-input that can currently found on github here https://github.com/SiggiSmara/shiny-directory-input/tree/package

The shinyDirectoryInput package needs to be installed via devtools prior to installing this one:

devtools::install_github('SiggiSmara/shiny-directory-input', ref="package")

once that is installed install this package in a similar manner:

devtools::install_github('SiggiSmara/ShinyFIAMSSS')

RUn the app

There is only one exported function in the package: runMainProgram. It requires that the main working directory be supplied to it where the setup files, the mzML files, and the results are stored.

library(ShinyFIAMSSS)
runMainProgram('/path/to/workig/directory')

SiggiSmara/ShinyFIAMSSS documentation built on May 25, 2019, 7:25 p.m.