Manual Calibration
3.To modify an entry, click the entry to select it, modify the entry as needed, then click Update.
4.To delete an entry, click the entry to select it, then click Delete.
5.To add an entry, type the Name and Theoretical m/z for a reference compound, then select the charge state. Optionally, enter the Elemental Composition for the compound.
6.Specify the mass type (Resolved Isotope or Average).
7.Click Insert.
CAUTION
The software allows you to add multiple items with the same m/z value to the calibration list box if any other attribute of the reference compound is different (for example, charge state or name). Each mass in the list is considered during calibration. If the mass list contains duplicate entries, the calibration may return an invalid number of matches.
8.Click Save or Save As.
9.In the Save As dialog box, select a location and type a name for the file, then click Save.
When specifying highly charged, |
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species with peaks less than 1 Da wide (for example, |
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myoglobin +20) as reference masses in a calibration reference |
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file, set the peak type as a Resolved Isotope Mass (even |
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though it is not a resolved isotope). The calibration routine |
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checks peak width to determine if a peak matches a Resolved |
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Isotope Mass or an Average mass. If narrow peaks are |
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specified as Average Masses in the calibration reference file, |
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the software mistakes these narrow peaks as isotopically | 5 | |
resolved and ignores the reference mass. | ||
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Data Explorer™ Software User’s Guide |