Analyze Isotope Ratios in a 'Shiny'-App

Analyzing Inductively Coupled Plasma - Mass Spectrometry (ICP-MS) measurement data to evaluate isotope ratios (IRs) is a complex process. The 'IsoCor' package facilitates this process and renders it reproducible by providing a function to run a 'Shiny'-App locally in any web browser. In this App the user can upload data files of various formats, select ion traces, apply peak detection and perform calculation of IRs and delta values. Results are provided as figures and tables and can be exported. The App, therefore, facilitates data processing of ICP-MS experiments to quickly obtain optimal processing parameters compared to traditional 'Excel' worksheet based approaches. A more detailed description can be found in the corresponding article . The most recent version of 'IsoCor' can be tested online at < https://apps.bam.de/shn00/IsoCor/>.

IsoCor

The goal of IsoCor is to analyze isotope data from Inductively-coupled-plasma Mass-spectrometry (ICP-MS) analyses using a dedicated Shiny-App. Two workflows are supported for isotope ratio (IR) and isotope dilution (ID) calculation.

You can access and test the app without local installation at www.bam.de/IsoCor.

Installation

To install the development version of IsoCor from GitHub use:

devtools::install_github("janlisec/IsoCor")

or alternatively install from CRAN:

install.packages("IsoCor")

Example

Afterwards you can start the app locally in your browser running:

IsoCor::ic_app()

The app contains test-data sets for both workflows, IR and ID. Measurement files can be uploaded in a number of different formats. Most parameters are explained either by tooltips or popups.

Detailed documentation

Scientific publications for the IR and ID workflows can be found here and here.