Chapter 5 Examining Spectrum Data

Calibration references files (.REF) providedWhen to use manual calibration

The manual calibration feature provides two modes for peak matching:

Automatic— The software automatically compares reference masses to observed masses, and lists peaks that are within the specified peak matching criteria.

Manual— You manually select an observed mass, then select the reference mass for comparison.

Hint: It is often useful to automatically perform a match and fit first, then manually adjust the fit as needed.

Default calibration reference files are provided with the software. You can use these files as a starting point and add delete reference masses as needed.

For information, see Section 5.3.3, Creating or Modifying a Calibration Reference File (.REF).

Use manual calibration when you:

Calibrate Voyager data

Calibrate Mariner data and any of the following occur:

You have one or only a few spectra to calibrate

Accurate mass5 measurements

You do not know in advance which reference masses to use

You do not know in advance if the quality of the reference mass signals is acceptable

You want to fine-tune the results of an automatic calibration

For information on automatic calibration, see Section 5.4, Automatic Calibration.

Before performing an internal calibration, refer to the:

Mariner Workstation User’s Guide

Voyager Biospectrometry Workstation User’s Guide

5-6 Applied Biosystems