In the Compound Discoverer application, you can create and edit processing workflows (known as processing methods) within the study environment. If you already have a study that you want to use, see Open an existing study. You can create a new study and a new analysis from the Compound Discoverer New Study and Analysis wizard.

TIP

The wizard has embedded Help that you can open by selecting the light bulb icon in the lower-left corner. Each page of the wizard also has context-sensitive help, which you can open by pressing the F1 key while on the page you need help with.

Procedure

  1. From the Compound Discoverer window, start the wizard by doing one of the following:
  2. From the menu bar, select File > New Study and Analysis.
  3. In the toolbar, select Create a New Study and Analysis from Scratch .
  4. On the Start page, under What Would You Like to Do?, select New Study and Analysis.
  5. The New Study and Analysis wizard opens to the Study Name and Processing Workflow page.
  6. Follow the wizard instructions to do the following:
  7. Name the study.
  8. Select the top-level studies folder.
  9. Select the processing workflow.

  10. NOTE

    You do not have to select the processing workflow from the list on the first page of the wizard. You can select the processing workflow after you complete the wizard.

  11. Select the input files (Xcalibur™ raw data files).
  12. (optional) Set up the study groups and comparison ratios.

  13. NOTE

    If you are not performing a statistical analysis of the study groups, you also do not need to specify the study factors or set up sample groups and ratios for the study.

  14. Select Finish.
  15. The new study opens to the Input Files page.
    Figure 6 shows an example of a new study, named Caffeine, and a new analysis.
  16. Example of a newly created study and analysis
    1234
    No.DescriptionNo.Description

    1

    Four study pages

    3

    Two analysis pages

    2

    Study tab

    4

    Analysis pane

NOTE

A study includes four pages: Study Definition, Input Files, Samples, and Analysis Results.

An analysis includes two pages: Grouping & Ratios and Workflows.

The new study also displays the Analysis pane.