GC Image Users' Guide

Reports

The end product of an analysis is typically a report(s) on the processing of a set or batch of runs. GC Project has tools for creating and managing batches of runs and also has tools for generating reports. The reporting facilities of GC Project are still under active development and will be improved in subsequent releases.

The type of report to be generated is selected from the Reports menu of GC Project, illustrated in Figure 1. Currently only the following report types are supported:

fractional response reports,
retention time reports,
response slice reports (including ASTM D2887), and
internal standard reports (including ASTM D5580).

More report types will be added in subsequent releases. The parameterization of each report type is summarized in following sections.

Figure 1: The Reports menu in GC Project.

Each of the reports can be generated in any of several file formats:

the eXtensible Markup Language (XML),
the HyperText Markup Language (HTML), and
comma-separated values (CSV).

The XML file format is preferred, because GC Project can parse XML-format reports for summarizing archived reports. In the future, GC Project will support searching of XML-format reports. XML-format reports can be displayed in recent-generation web browsers, such as Microsoft Internet Explorer. Screen-shots of examples of the different reports are shown in sections below. The user selects the output file format on a popup dialog, as shown in Figure 2:

Figure 2: The Report format-selection popup.

GC Project also presents a popup dialog for the user to select a filename for the report. The report is stored in the Reports directory under the specified filename and is listed in the Project Tree under the Reports node. Clicking on the Reports node in the Project Tree presents in the Component Information pane a table of saved reports, as shown in Figure 3.

Figure 3: The Reports node in the Project Tree.

Clicking on a report under listed under the Reports node in the Project Tree presents in the Component Information pane information about the specific report, as shown in Figure 4. Double-clicking on a report listed under the Reports node in the Project Tree launches a file browser (MS Internet Explorer for reports formatted in XML and HTML and MS WordPad for reports formatted in CSV).

Figure 4: A Report node in the Project Tree.

Batches

GC Project allows users to designate a set of processed images as a Batch. The U.S. Environmental Protection Agency (EPA) defines a batch as: "A group of samples which behave similarly with respect to the sampling or the testing procedures being employed and which are processed as a unit." [U.S. EPA, SW-846, Revision 2, 1996, p. ONE-23] Batches are a convenience in generating reports because the same set of processed images, e.g., a set of calibration images, may be used repeatedly in generating many reports. Once grouped in a batch, the set of images can be selected en masse for a report.

The Batch structure in GC Project contains a set of processed images. Each Batch defined for the project is listed under the Batches node of the Project Tree, as in Figure 5. Clicking on the Batches node of the Project Tree lists the table of batches in the Component Information pane.

Figure 5: The Batches node in the Project Tree.

A user creates a new batch by clicking on the Add Batch button below the list of existing batches. GC Project presents a batch creation popup, pictured in Figure 6, that allows the user to specify the processed images in the batch. Once the processed images are selected, the new batch is created, it is added to the list of batches in the batch list in the Component Information pane, and it is added to the Project Tree under the Batches node.

Figure 6: The Add Batch popup dialog.

Clicking on a batch in under the Batches node of the Project Tree presents in the Component Information pane information about the batch, including the list of processed images, as illustrated in Figure 7.

Figure 7: A Batch node in the Project Tree.

Fractional Response Reports

The Fractional Response report provides the response (i.e., volume) of each included blob, group, constellation, and blob set as a percent of the sum of the responses (i.e., volumes) of all detected blobs which have not been excluded. The Fractional Response report expands on the percent response statistic in the blob table.

First, the user selects Fractional Response from the Reports menu of GC Project. Then, GC Project presents a chooser listing all of the batches and all of the processed images in the project, as illustrated in Figure 8. The user selects a batch or processed image by clicking on it in the Available list and then clicking the '>' button to select the choice. A selected batch or processed image can be deselected by clicking on it in the Selected list and then clicking the '<' button to deselect the choice. After selection is finished, the user clicks OK and is prompted for the output file format and name.

Figure 8: The Fractional Response report tool.

As shown in Figure 9, the Fractional Response Report for a processed image has:

a title and subtitles;
a parameter table with the vial, run, and image names;
a blob fractional-response table with a row for each included blob in the image and a row for the residual (total for all of the blobs that are neither included nor excluded);
a group fractional-response table with a row for all of the blobs in each named group and a row for the residual (total for all of the blobs that are neither reported in a group nor excluded);
a constellation fractional-response table with a row for all of the blobs in each named constellation and a row for the residual (total for all of the blobs that are neither reported in a constellation nor excluded); and
a blob-set fractional-response table with a row for each included blob-set.

The fractional responses in the blob, group, constellation, and blob-set tables are given as percentages of the total of all blobs (not including blobs that are excluded or in an excluded blob set).

If a batch with multiple processed images is selected for the report, all of the images in the batch are reported in sequence. Then, at the end of the report, there are consensus blob, group, constellation, and blob-set tables with mean, standard deviation, and count for each row in each table.

Figure 9: A Fractional Response report formatted in XML.

Retention Time Reports

The Retention Time report provides a formal report format for the peak retention times. The Retention Time report is a more formal formatting of the peak retention-time statistics in the blob table.

First, the user selects Retention Time from the Reports menu of GC Project. Then, GC Project presents a chooser listing all of the batches and all of the processed images in the project. The user selects a batch or processed image by clicking on it in the Available list and then clicking the '>' button to select the choice. A selected batch or processed image can be deselected by clicking on it in the Selected list and then clicking the '<' button to deselect the choice. After selection is finished, the user clicks OK and is prompted for the output file format and name.

As shown in Figure 10, the Retention Time Report for a processed image has:

a title and subtitles;
a parameter table with the vial, run, and image names; and
a retention time table with the compound name, the count of images in which the named compound occurs, and the mean and standard deviation of retention time in each dimension for the compound.

Figure 10: A Retention Time Report formatted in XML.

Slice Reports

Slice reports, such as ASTM D2887, report the retention time and boiling point distribution. This report requires a calibration run, with included blobs of known boiling point, and a sample run, for which the distribution is reported. (The report requires that named chemicals in the amount table of the calibration vials also are present with boiling points in the chemical properties table.)

First, the user selects ASTM D2887 or Slice from the Reports menu of GC Project. Then, GC Project presents a chooser, pictured in Figure 11. The chooser for Slice reports requires selection of a calibration and sample pair. The user selects a processed image for each by clicking an entry in the Calibration list and an entry in the Sample list, then clicking the '>' button to select the pair. A selected pair can be deselected by clicking on it in the Selected list and then clicking the '<' button to deselect the choice.

Figure 11: The Response Slice report tool.

The user also selects from the various sub-reports available, e.g., calibration report, sample report, etc. After all selections are made, the user clicks OK and is prompted for the output file format and name.

The Slice report for a processed image has:

a title and subtitles;
a parameter table with the vial, run, and image names; and
subreports with tables and graphs.

An example calibration graph is pictured in Figure 12 and an example cumulative boiling point distribution graph is pictured in Figure 13.

Figure 12: A calibration graph for ASTM D2887.

Figure 13: A cumulative boiling point distribution graph for ASTM D2887.

The Chemical Properties table has named chemicals and various chemical properties. The table currently is used for the Slice report to calibrate boiling point. The table will be expanded significantly to include other chemical properties required for analysis and reporting. To view and edit the Chemical Properties table, click the Chemical Properties button on the GC Project toolbar. Figure 14 illustrates the Chemical Properties tool with buttons that allow adding new entries, editing existing entries, or deleting entries.

Figure 14: The Chemical Properties tool.

Internal Standard Reports

Internal Standard reports, such as ASTM D5580, report the amounts of compounds in a sample relative to internal standards. This report requires calibration runs, with known ratios of target compounds and internal standards, and a sample run, which includes a known amount of internal standards and a known amount of sample. (An entry with the name "Sample" and the amount or relative amount of the sample should be present in the amount table of each sample vial.)

First, the user selects ASTM D5580 or Internal Standard from the Reports menu of GC Project. Then, GC Project presents a chooser. The chooser for Internal Standard reports requires selection of a calibration batch and sample pair. The user selects the calibration batch by clicking in the Calibration list and a sample by clicking in the Sample list, then clicking the '>' button to select the pair. A selected pair can be deselected by clicking on it in the Selected list and then clicking the '<' button to deselect the choice.

The Internal Standard report for a processed image has:

a title and subtitles;
a parameter table with the vial, run, and image names; and
subreports with tables and graphs.

An example calibration graph for one of the target compounds (o-xylene) is pictured in Figure 15 and a table of compounds and groups is pictured in Figure 16.

Figure 15: A calibration graph for ASTM D5580.

Figure 16: A table of compounds and groups for ASTM D5580.

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