How to use the elemental composition tool in UNIFI without processing the data - WKB5234

OBJECTIVE or GOAL

Use the elemental composition tool in UNIFI without processing the data. The standard UNIFI workflow if focused looking for known components. However, if a customer is trying to elucidate unknowns this workflow does not work.

Data needs to be processed before the elemental composition tool can be used in the review tab and this can be very inconvenient. Many times it is beneficial to look at the unprocessed data in the investigate tab.

ENVIRONMENT

• UNIFI 1.8.2.
• UNIFI 1.9.2
• UNIFI 1.9.4
• Vion

PROCEDURE

The standard UNIFI workflow if focused on looking for known components. If a customer is trying to elucidate unknowns, this workflow does not work.

Data needs to be processed before the elemental composition tool can be used in the Review tab, and this can be very inconvenient. It is often beneficial to look at the unprocessed data in the Investigate tab:

1. Go to the Investigate tab in UNIFI.
2. With your right mouse button clicked, drag over a chromatographic peak to create a spectrum.
3. Open process data (the little calculator button).
4. Select "mass measure" from the drop-down menu and press Start. (The data are now centered.)
5. Select the "show spectral analysis" button.
6. Select "elemental composition"  from the drop-down menu.
7. In the spectrum, select a peak of interest, select the respective parameters, and press Start. (The output is the elemental composition.)

ADDITIONAL INFORMATION

The attachment gives a detailed description of the procedure, including screenshots.