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Using the Elemental Composition Calculator
Data Explorer
™
Software User’s Guide 6-5
6
•“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.
Electron state for
intact molecules or
fragment ions
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.
Calculating 14. Click Calculate.
To cancel a lengthy calculation, click Cancel Calc.
Results The results of the calculation are displayed in the Elemental
Analysis tab of the Output window (Figure 6-2).
Figure 6-2 Elemental Composition Calculation Results in Output Window