GC Image LCxLC-HRMS Edition 2.8 has many new features and improvements. See the GC Image LCxLC-HRMS Edition Users' Guide for full documentation.
Version 2.8R3 has the following new improvements for Processing > Extract Ion Peaks as Area Objects:
Version 2.8R3 has new improvements for Review mode including:
Version 2.8R3 now includes replib from NIST Library in addition to mainlib by default, in order to improve the accuracy of the search results for common compounds.
In addition, Blob Table now has columns for accessing the top three hit list entries returned by Library Search including:
Additional hit list entries can be added to Blob Table as CLIC columns, for example, "Hit_Name" or "Hit_Match_Factor".
Version 2.8R3 has new features for Investigator, including:
Version 2.8R3 has other new and improved operations, including:
Version 2.8R2 now supports pulse calibration for either centroid or profile data.
Custom attributes can now be specified in the Description field of a blob or an area using the JSON formatted name-value pairs. A new CUSTOMATTRIBUTE("Attribute Name") CLIC function can be used to retrieve custom attribute values to be used in Blob Table for calculation and reporting.
Template - Import Compound List is enhanced to import both built-in and custom attributes from external sources including:
Also, custom attributes for a sample can be added to a Sequence Table in a project, and automatically imported into Image Attributes during auto processing. A new MISCIMAGEATTRIBUTE("Attribute Name") CLIC function can be used to retrieve custom attribute values from the Image Attributes - Miscellaneous table to be used in Blob Table for calculation and reporting.
Version 2.8R2 has new improvements for template matching and raw data alignment including:
LC Image program now has a new workspace mode if invoked from LC Project program. When Project launches an Image window instance with an open project, it will set the Image window instance to use default paths of the project for import, open, configuration, template, and report functions so that a user can maintain all files related to a project together and switch from one project to another easily.
Version 2.8R2 has other new and improved operations, including:
GC Image LCxLC-HRMS Edition 2.8r1 has new and improved I/O facilities, including:
The new Processing > Extract Ion Peaks as Area Objects replaces the Extract Ion Peaks to Areas plugin included in the previous versions. The new function includes several major improvements:
The new Compare Images - Side-by-Side tool adapts the reliable peak region alignment methods from Investigator, enables comprehensive peak matching between two chromatograms, and automates difference detection. The tool provides a set of visualizations that allow users to interactively review two chromatograms, the alignment transformation, and peak matches. It provides not only comparative visualization, but also comprehensive characterization of sample differences down to individual peaks.
The new Compound Finder tool in Investigator allows analysts to detect common and unique compounds across many samples with specialized detection and identification constraints that use chromatographic and mass spectral information to distinguish marker compounds. In addition, the results are visualized with a labeled bubble plot, which provides not only metric values, but also instructive predictions as to which features are effective for distinguishing samples.
The new Investigator ML is a plugin tool for supervised pattern recognition and classification. An experimental version of Investigator ML is included with GC Image LCxLC-HRMS Edition Version 2.8. Investigator ML can be launched from the Investigator menu as Tools > Investigator ML. Then, from the dialog, shown below, the user selects the:
In the current version, Investigator ML supports only supervised binary classification, so only two classes can be selected and only chromatograms from those classes are available for selection as sources of the feature data. Investigator ML has a separate Users' Manual that describes its operations and use. This is available via the Help menu in the Investigator ML interface.
GC Image™ LCxLC-HRMS Edition Users' Guide © 2001–2018 by GC Image, LLC, and the University of Nebraska.