GC Image GCxGC Edition Users' Guide

New Features and Improvements in Release 2.6

GC Image GCxGC Edition Release 2.6 (June 2016) has many new features and improvements. See the GC Image GCxGC Edition Users' Guide for full documentation. GC Image GCxGC Edition R2.6 requires Microsoft Windows Vista or later operating system. GC Image GCxGC Edition R2.6 (64-bit) requires a 64-bit Windows operating system. The software requires Microsoft .Net Framework 4.0 or later to import some vendor data file formats.

Interactive Template Matching

GC Image GCxGC Edition R2.6 introduces new interactive tools for Template Matching that allow users to:

• Specify and experiment with Template Matching configuration settings.
• Interactively assign matches between selected template peaks and blobs by point-and-click and unassign selected matches.
• Automatically match all other peaks based on manually matched marker peaks.
• Perform a guided review of matches.
• Specify and interactively experiment with transformation models, including second-order polynomial transformation (new in R2.6).
• New 2D, 1D, angular, and distance metrics for ranking matches.
• Export and import a set of matching peak and blob retention times.
• Review and save a matching report with improved formatting at any time.

In addition, the software has other new and improved features for templates, including:

• Generate Peak Template that automatically selects peaks to build a template in accordance with user-selectable criteria.
• Transform Template is integrated with the new interactive template matching tools.

New and Improved Operations and Support for MS and HRMS

GC Image GCxGC Edition R2.6 has new and improved features for MS and HRMS data, including:

• Extract Ion Peaks to Areas applies a drain algorithm that is adapted to detect area objects for chromatographic peaks of individual ions, then combines area objects for multiple ions of the same analyte based on retention times and peak shapes.
• Adaptive Binning is an improved MS data binning method that automatically adjusts MS tolerances to the MS resolution based on neighboring ion peaks. This new method only requires users to specify an estimated maximum mass tolerance.
• Parts-per-million (PPM) units are supported for Dynamic and Adaptive Binning.
• View SIC allows users to specify a general parametric chemical formula as well as a MS range or specific chemical formula.
• New CLIC functions have been added for better HRMS support:
  • ExactMass("formula")
  • MatchedMass(mass, tolerance)
• The Mass Defect Plot now can be copied to the clipboard as well as saved to various file formats.

New and Improved Operations and Support for Visualization and Reporting

GC Image GCxGC Edition R2.6 has new and improved operations for data visualization and reporting, including:

• A new colorization configuration allows users to display blobs with dynamic colorization based on a blob property or CLIC expression.
• A new Colorize Blobs operation allows users to colorize blobs and area objects based on a blob property or CLIC expression.
• Support for double axes at the top and right of Image Viewer that can be configured to show Pixel, Time, and RI axes with full customization options.
• Additional individual CLIC columns can be added to the Blob Table and Blob Set Table, allowing up to ten custom attributes.
• The improved Blob Table configuration interface organizes hundreds of attributes into easy-to-find categories.
• The new View Journal menu allows users to view the Journal from within GC Image, without the need to save.

New and Improved Operations for Data Processing

GC Image GCxGC Edition R2.6 has new and improved operations for data processing, including:

• The "rolling ball" algorithm can be used for Baseline Correction to produce a flat baseline from a chromatogram with a complex background.
• A new Register Image tool allows users to perform chromatographic alignment on a raw chromatogram based on either template matching or a set of alignment points interactively.
• There are two new Retention Index calibration functions, Linear and Polynomial (in addition to piecewise linear) and support for custom calibration functions.
• New post-search constraints are supported for match factor, reverse match factor, and probability for Library Search.

Other New Features and Improvements

GC Image GCxGC Edition R2.6 has other new and improved operations, including:

• The Compound Library now supports custom chemical properties.
• Export Image now supports exporting selected regions, blobs, and area objects in mzXML format.
• New plugin interface supporting the import of the VUV Analytics format. GC Image welcomes working with organizations to support additional formats.
• Improved Interpolation options for Import Image can resample data using a sampling rate determined automatically or a user-specified sampling rate.

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GC Image™ GCxGC Edition Users' Guide © 2001–2016 by GC Image, LLC, and the University of Nebraska.