Plugin - Investigator ML

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Investigator ML is a tool for supervised pattern recognition and classification. With input of a list of chromatograms, each with name, sample class, and feature values, Investigator ML allows the user to:

1. Configure the chromatograms into training and testing sets and select features to be used for pattern recognition and classification.
2. Build and apply a classification model for pattern recognition.

Investigator ML provides various tools for visualization and reporting on the chromatograms, features, feature patterns, classification models, and classification results.

Installation

The plugin requires Version 2.9 (64 bit) or later.

1. Download here: the Investigator ML plugin
2. Double click to run the installer exe.
3. Extract it to the GC Image or LC Image installation folder as shown below.

Usage

1. With an analysis loaded in Investigator, click Tools > Investigator ML.
2. Use the Refine Model Dialog to specify the Feature, Attribute, and the two classes (Figure 1).
3. Select some or all of the available images for use in the classification.
4. Click Submit to load the specified data into the Investigator ML plugin (Figure 2).
5. For further usage instructions, access the Investigator ML Users' Manual with Help > Users' Manual.

Figure 1: Export classification feature data from Investigator to Investigator ML.


Figure 2: Chromatograms Tab with Items Table and Item Analysis Graph.

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Version 1.0.1 is now available to download.

Improvements

• Investigator ML now shows the path of the source analysis file in its window title when invoked from Investigator v2.8r2.

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Version 1.0.1 is updated to be compatible with v2.9 releases.

For v2.7 - v2.8 releases, download and install the compatible version here: the v2.7-v2.8 compatible plugin.

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Version 1.0.2 is updated to be compatible with v2020 releases.

For v2.9 releases, a compact version (1.0.1) can be downloaded and installed as follows:

1. Download here: the compact plugin installer
2. Unzip it using File Explorer or another application.
3. Start Investigator.
4. From the menu, select Tools > Manage Plugins...
5. Click on Import and then select the InvestigatorML-Plugin.plugin folder.
6. Click OK to finish the installation. Investigator ML will now be listed in the table.

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An early access to Version 1.1.0 Beta with multi-class support and new classification methods is available here.