Plugin: Customized screening for compounds with JavaScript in CLIC

[qtao]

GC Image R2.3 or later significantly expands the functions and flexibility of CLIC with JavaScript support. Now users can develop their own functions and use them with built-in CLIC functions for screening compounds, template matching, and reporting.

For more information on CLIC and JavaScript plugins in GC Image, please visit:

• Computer Language for Identifying Chemicals (CLIC)
• CLIC Function Plugin

Do you have a screening function you'd like to use in CLIC? Please let us know.

[qtao]

As an example, we reimplemented the Chlorine2 function described in the following article:

Donald C. Hilton, Automated Screening for Hazardous Components in Complex Mixtures Based on Functional Characteristics Identifiable in GCxGC–TOF-MS Data, Current Trends in Mass Spectrometry, July 2007.

Download here: the Chlorine function plugin
, and install the plugin:
> Unzip it
> Start GC Image
> Go to menu: Configure > Manage Plugins..., and import it.

Then you can use the function: chlorine2(noiseThreshold, parentThreshold), in CLIC. In our implementation, we parametrized two fixed thresholds (e.g. 20 and 100) in the article.

[qtao]

By popular request, we have translated the script published in the following paper to CLIC:

Hilton DC, Jones RS, Sjödin A. A method for rapid, non-targeted screening for environmental contaminants in household dust. J Chromatogr A. 2010 Oct 29;1217(44):6851-6.

Download here: the CLIC script plugin
, and install the plugin:
> Unzip it
> Start GC Image
> Go to menu: Configure > Manage Plugins..., and import it.

Caution: This plugin is a direct translation of the original published script with minimum testing and without additional tuning. It is most likely that the original script was tuned for the chromatograms that the original authors used. So it may not work as expected without additional tuning for the specific chromatogram you use.

[qtao]

Changes for CLIC Functions for Screening Environmental Contaminants

• Version 1.0.1 - Updated NITRO() function that is compatible with v2.5 and later