Waters GCT Premier Operator's Manual page 118

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To manually adjust the large residual error peaks:
1.
Left-click and drag across a mass region of a mismatched peak to zoom
the mass region.
Tip:
Click Display > Default to zoom out.
2.
In the reference spectrum pane, right-click the mismatched reference
peak.
Tip:
Right-click slightly to the right of the peak and below its top.
3.
Right-click the required peak in the spectrum pane.
Result:
4.
Repeat
After selecting the correct peaks, the residuals should be reasonably
consistent, with no obvious outlying points.
Calibration report window with residual errors corrected:
5-12
Calibration
MassLynx updates the calibration with the new point.
steps 1 through 3
for other mismatched peaks.

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