The Input File Characterization page of the wizard displays the sample information for each raw data file added to the study. On this page, you will specify the sample type for each sample.

NOTE

By default, the application assigns the sample type as "Sample" for all new samples. You can change the sample type as appropriate by selecting the arrow in each sample type cell.

The following table describes the sample types for a stable isotope labeling analysis.

Table Sample types

Sample type

The application processes these sample types as follows

Sample

Detects the unlabeled compounds in the sample.

Blank

Marks the background compounds in the entire data set.

Identification Only

Does not report the chromatographic peak areas for the compounds in these samples; only uses the sample’s fragmentation scans for component (compound) identification.

Labeled

Determines the isotopic label incorporation.

To specify the sample types for this tutorial, do the following:

Procedure

  1. On the Input File Characterization page of the wizard, do the following:
  2. Define the delimiter by selecting the Underscore checkbox.
  4. To automatically assign the Blank sample, on the command bar, select Assign.

  5. NOTE

    The application automatically assigns the Blank sample type to files that are named "Blank" or contain the word "Blank" in their file name when you select the appropriate delimiter(s).

  6. To assign the Identification Only samples, use the SHIFT key to simultaneously select the four Acquire_X_ID files and then right‑click the selected rows and select Set Sample Type To > Identification Only.

  7. NOTE

    Identification samples must have fragmentation scans.

    In this example data set, the Acquire_X_ID files contain data-dependent fragmentation scans which were acquired within the same acquisition sequence and the same chromatographic conditions as the other data files.

  8. Defining the samples to be used for Identification Only
    Figure Defining the samples to be used for Identification Only
  9. To assign the Labeled samples, use the CTRL key to simultaneously select the three 13C labeled files then right‑click the selected rows and select Set Sample Type To > Labeled.
  10. Defining the labeled samples
    Figure Defining the labeled samples
  11. The remaining three unlabeled 12C samples are automatically assigned the Sample sample type.
  12. Select Next to continue.
  13. The Sample Groups and Ratios page of the wizard opens.