Applied Biosystems Data Explorer 4 Series User Manual page 275

Electron state for
intact molecules or
fragment ions
Calculating
Results
Figure 6-2 Elemental Composition Calculation Results in Output Window
• "Adding new elements and setting limits" on
page 6-9
• "Setting limits for other result types" on
page 6-12
11. Click More Parameters, then enter the Minimum and
Maximum Double Bond Equivalents to include in the
calculation.
12. Set the Electron State to calculate. If you are
calculating composition for:
• Intact molecules—Use the default of Even
Only.
• Fragment ions—Set to Both Odd and Even
if you are analyzing mass differences or
absolute masses.
NOTE: You may be able to refine results for fragment
ions by setting Electron State to Odd Only.
13. Click OK.
14. Click Calculate.
To cancel a lengthy calculation, click Cancel Calc.
The results of the calculation are displayed in the Elemental
Analysis tab of the Output window (Figure 6-2).
Data Explorer
Using the Elemental Composition Calculator
™
Software User's Guide
6
6-5