The following parameters define the range for a chromatogram trace—injection or raw data file, detector, scan filter, trace type, and mass range for the Mass Range trace type. After you open an injection or a raw data file, use the Ranges dialog box to select the parameter settings for each chromatogram trace.
Procedure
- Select the Chromatogram view that you want to define.
- Do one of the following:
- In the workspace, turn on the Info Bar toggle .
- Select View > Ranges > Chromatogram ranges.
- A Ranges dialog box that is linked to the active or selected Chromatogram view opens.
- Select Add Trace.
- The application adds a row with a copy of the currently selected row in the list.
NOTE
Each row in the Ranges dialog box defines one trace in the selected Chromatogram view.
- For each trace that you want to display in the Chromatogram view, select Display Trace Visibility and specify the parameters in the Plot Properties and Processing area as follows:
- In the Injection/Raw Data box, select the injection or the raw data file for each trace.
- From the Detector dropdown list, select a detector (see Detector type).
- From the Trace Type dropdown list, select a trace (see Trace type).
- Depending on the detector type and trace type, do one of the following:
- For MS data and the Mass Range, Base Peak, or Neutral Fragment trace types, enter the mass range in the Ranges box. Use a hyphen to define the mass range.
- The trace for the specified mass range appears in the Chromatogram view.
- For PDA data and the Wavelength Range trace type, in the Ranges box, enter the wavelength range. Use a hyphen to define the wavelength range.
- For the Mass Range trace type, in the Mass Tolerance column, specify the mass tolerance and the units.
- You can select atomic mass units (amu), millimass units (mmu), or parts per million (ppm); the default units are ppm.
- In the Formula box, select edit .
- A dialog box opens.
- In the dialog box, do the following:
- Select Chemical Formula or Peptide.
NOTE
Use the IUPAC nomenclature (periodic table symbols) for chemical formulas. Use the one-letter amino acid abbreviations for peptide sequences. See Appendix: Amino Acid residue abbreviations.
For example, to enter a chemical formula, use format C6H12O6. To enter an amino acid or peptide sequence, use format AHYWPEF.- Enter an adduct species and a charge.
- The adduct box is unavailable when the charge is 0 or when the field is left blank (edited manually by the user).
- Select Apply.
The application does the following:
- Provides the chemical formula or peptide sequence under Formula.
- Provides the m/z value of the specified chemical formula or peptide sequence.
- Provides the appropriate mass range for the trace type.
NOTE
The application also populates the Formula column and Ranges column with the specified chemical formula or peptide sequence in the Ranges table.
- To apply the changes to the active chromatogram, select Apply.
NOTE
To undo all changes made to this page and to revert to the previously applied changes, select . The Undo button is active only after applying the changes in the Ranges dialog box.