Chapter 5 Examining Spectrum Data

Definition.REF files providedCalibration reference file contents

A calibration reference file (.REF) is a list of masses and corresponding information from which you can select reference masses during calibration.

The following default calibration reference files are provided with the software:

•MARINER_POS.REF

•MARINER_NEG.REF

•VOYAGER.REF

•ANGIOTENSIN_FRAGMENTS.REF

•IMMONIUM_IONS.REF

A calibration reference file is a tab-delimited text file that contains the following columns of information:

•Reference mass

•Charge (defaults to 0 if you do not specify)

•Type— Resolved, Average, or Unknown (defaults to Resolved if you do not specify)

•Name (optional)

•Elemental composition (optional)

Creating and saving a calibration reference file

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NOTE: If you view the reference file in a text editor (such as Notepad Editor), the order of the information listed in the reference file is different than the order of the information displayed in the Reference Mass dialog box (see Figure 5-3 on page 5-10).

NOTE: You can also create a reference file using the Ion Fragmentation calculator. For more information, see “Creating a calibration reference file (.REF)” on page 6-30.

To create and save a calibration reference file:

1.From the Process menu, select Mass Calibration, then select Edit/Create Reference File.

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