While profiling spectra, you can view acquisition and sample information connected to the current spectrum, and change the concentration units that appear in the Compound Table and any exported profiles. The Sidebar lets you change the lines displayed in the Spectrum Graph, select compound sets to use in fitting spectra, and view extended information about the compounds in your Library
The Legend is an interactive display of the various lines currently appearing in the Spectrum Graph. In Profiler, you can use the Legend to pin or unpin compound lines to the spectrum, change their colors, or make a pinned compound active for fitting.
| Menu Location | View > Sidebars > Left Sidebar > Legend |
| Icon |
 |
| Menu Location | View > Sidebars > Right Sidebar > Legend |
| Icon |
|
How do I pin a compound using the Legend?
-
Switch to the Legend view in the Sidebar.
-
Select a compound in the Compound Table.
-
In the Legend view, click the gray pin icon (
) appearing to the right of the compound's line.
How do I unpin a compound using the Legend?
-
Switch to the Legend view in the Sidebar.
-
Locate a pinned compound in the Legend view.
-
Click the red pin appearing to the right of the pinned compound's name.
How do I temporarily hide a pinned compound?
-
Switch to the Legend view in the Sidebar.
-
Locate a pinned compound in the Legend view.
-
Uncheck the box appearing to the left of the pinned compound's name.
Tips and Tricks
-
You can adjust the display of compound lines through the Legend view in the Sidebar, including setting custom colors, pinning compounds and selecting a compound for use in profiling.
Related Topics
| Menu Location | View > Sidebars > Left Sidebar > Reference Card |
| Icon |
 |
| Menu Location | View > Sidebars > Right Sidebar > Reference Card |
| Icon |
|
The Reference Card Panel Sidebar view displays information specific to the compound that you have selected in the Compound Table. This includes a structure image, molecular formula and weight, alternate names, InChI and SMILES strings, extended descriptive text and links to external reference sites. You can use this information to verify the identity of the compound that you are fitting and better understand the signature and behaviour of the compound in your spectra.
Related Topics
| Menu Location | View > Sidebars > Left Sidebar > Reference Card |
| Icon |
 |
| Menu Location | View > Sidebars > Right Sidebar > Reference Card |
| Icon |
|
The Spectrum Details Sidebar view shows a summary of the calibration parameters for the current spectrum. It also displays the spectrum's acquisition details, including spectral width, magnet frequency, pulse sequence, and others. At the bottom of the view, there's also space for additional comments.
Tips and Tricks
-
You can edit a spectrum's calibration parameters by opening it in Processor and using the available calibration tools.
-
A spectrum's acquisition details cannot be edited.
-
You can edit a spectrum's comments at any time. You must save the spectrum to retain your changes.
Related Topics
You can change the units of concentration used in the Compound Table. Available units include millimoles per litre (mM), micromoles per litre (μM) and milligrams per decilitre (mg/dL).
Tips and Tricks
-
The maximum allowed concentration for any compound is 5000 mM (5 M). When you select mg/dL as the concentration unit, the maximum value varies per compound, since the units incorporate the molecular weight of the compound. However, the maximum value is always equivalent to 5000 mM.
-
Concentrations in mg/dL are only available for compounds whose molecular weight has been specified in the compound's Reference Card, and the accuracy of such concentrations depends on the accuracy of the molecular weight provided. The molecular weight has already been correctly specified for all compounds in the default Chenomx Reference Library.