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File Menu

The main window File Menu options are as follows:

PeakLab Data File Options

Generate/open2.gif Open...

The Open... menu item is opens an existing PeakLab [PFD] data file. A PFD file contains the imported data, all modifications to that data, all fits, and all support information used in the fitting.

The IRF and ZDD settings for the convolution integral and higher moment models are also saved in the PFD file, but are not loaded unless the Recall option is used in the respective IRF and ZDD dialogs.

The current user-defined functions are also saved in the PFD file, even if not currently used in any of the saved fits in the file. You can access the user-defined functions present at the time any given file was saved simply by opening the file. The user function can then be saved to a separate user function library (if such was not previously done), and imported for different data sets.

Append...

The Append... menu option is used to append another PeakLab data file to the current one. When you append two files, only the uppermost data levels of the two files are used to create a new third file which consists only of the data collected from each. You will be given the option to save the existing data.

The fits associated with the uppermost data level of each are also appended. Since only the user-functions in the current file are retained in the append process, any fits which use a user-defined function in the second appended file are not carried over to the appended file.

Generate/saveas2.gif Save...

The Save menu option saves the current PeakLab [PFD] data file to disk. Changes are not automatically saved, even when different data levels are generated. You must explicitly save the file to retain such changes. If a file is new and not yet named, this option is the same as the Save As... option.

Generate/saveas4.gif Save As...

The Save As option will save the current PeakLab [PFD] data file to disk with a different name and/or location.

Close

The Close option close the current PeakLab [PFD] data file.

Import 2D Spectroscopy or Chromatography Data Sets

The Import options allow up to 25 raw data sets to be added to a PeakLab file. All of the options are File menu Import Data Set(s) items:

Import Data Sets(s)
 

Generate/open8.gif Import from ASCII/AIA Data Files...

Generate/open5.gif Import from an Excel or ASCII CSV File...

Generate/open6.gif Import from Clipboard...


Import Data Sets(s) | Import Agilent data

PeakLab offers extensive direct import of Agilent chromatographic data from Chemstation, OpenLab v1, and OpenLab v2 files:

For Chemstation import, select the .d folders where the data resides. All of the .d folders must reside in a common higher level folder. You can select up to 25 folders if there is just a single detector file in each of the .d folders. If there are two, such as a DAD and FLD, you will need to select just 12 folders as both of the detector data sets will be imported. PeakLab uses a reverse-engineered Agilent Chemstation import, but the python rainbow import is also available as an alternative.

For OpenLab v1 import, all of the options are PeakLab reverse-engineered data imports. Again, you must select the .d folders. There are separate options to retrieve DAD, FID, FLD, and VWD files from cg files and the average spectrum chromatogram from the sd files.

For OpenLab v2 Import, unlike the other options, you must select the .dx data files. This is also PeakLab reverse-engineered import that will import the different recognized data files in the dx archive.

Import Spectral Modeling Matrix Data

The Import Data Sets from Model Data Matrix option allows up to 25 spectra stored in a model data matrix to be imported into the program for peak fitting and other analyses of specific spectral data.

Import Data using Digital Filter

The following import options are available with a simple digital filter that imports every nth data point starting with a specified point in the data stream:

Import from ASCII/AIA Data Files using Digital Filter

Import from an Excel or ASCII CSV File using Digital Filter

Import from Clipboard using Digital Filter
 

DAD/PDA 3D Chromatography

The DAD/PDA 3D Chromatograms menu offers options for importing and processing the full DAD/PDA spectroscopy data from chromatographic analyses. You must generally specify a save of this 3D data when you set up the chromatographic run. These options have their own independent 3D chromatographic data matrix import options that will be separate from the main program data. Only certain options will repopulate the main program 2D data sets.

Mass Spectrometry

The Mass Spec Data menu offers all of the mass spectrometry items in the program. These options have their own independent 3D mass spec data matrix import options that will be separate from the main program data. Only certain options will repopulate the main program 2D data sets.

Export Options

The File menu Export Data Set(s) options all export the existing data to an ASCII file. You export the principal data, the selected data sets, or all data sets. The export is always to a CSV file to ensure the proper columnar position of data of different lengths. Excel will read CSV files directly with no import parsing specification needed as occurs with other ASCII delimiters.

Note that this option is used only to export the PeakLab data level selected to a file that can be imported by Excel or virtually any other application. No fits are exported nor are the other data levels other than the currently selected one exported. Note that the Review has an option for specifically exporting fit information.

Export Data Set(s)
 

Generate/saveas3.gif Export Principal Data Set to ASCII CSV File...

Generate/saveas4.gif Export Selected Data Sets to ASCII CSV File...

Generate/saveas5.gif Export All Data Sets to ASCII CSV File...
 

ASCII File Options

These are support procedures for dealing with ASCII files.

Consolidate ASCII/AIA Data Files...

The ASCII and AIA net-CDF files exported from instruments will usually contain just one data set. The Consolidate ASCII/AIA Data files... option may be useful if you wish to create a large Excel file of many data sets in a single step independent of importing the data into PeakLab. Once imported into PeakLab, you would normally use the Export Data Set(s) options mentioned above, allowing any data level to be exported, but limited to the program's 25 simultaneous data set limit. In this option, you can combine up to 256 individual ASCII or AIA files into a single CSV file. You can select AIA and ASCII files and the ASCII files can have different formats.

Display ASCII File...

The Display ASCII File... option uses the program's text viewer to display any ASCII file you wish to view. You can also invoke the ASCII Editor from the view window's Edit menu where there are certain formatting options in its Style menu that may be useful, such as Reverse Comma and Decimal, and changing the delimiter with the Space Delimited, Comma Delimited, and Tab Delimited options.

Exit

You may use the Exit menu item to exit from the program. If the current data table has not been saved, you will be presented an opportunity to do so before the program closes.

Previous Files

The program remembers the last nine files read into the program and stores their names at the bottom of the File menu. These are saved across sessions. You may select any one of these files to immediately load the PFD file listed into the program. These can be independently cleared using the Edit menu's Reset Defaults | Clear Recently Used File List.

Importing Files by Drag and Drop

You may use Windows to drag multiple files you wish to import into a new PeakLab data file instead of using the Import procedure. Note that this feature is intended for dropping ASCII and AIA net-CDF files each containing a single data set into the program to create a new PFD data set. You can include Excel files and a column selection will be presented, but you will only be able to extract one data set from each file. You may drag the files to an empty main screen, or on top of existing data. Any existing data will be replaced with the newly created file containing all of the imported data sets. If the present data and fits are not fully saved, you will be offered an option to save the existing file before the new one is created.

Opening a PeakLab file by Drag and Drop

You may use Windows to drag a single PeakLab data file into the program instead of using the Open procedure. The file must be a PFD file previously created the PeakLab. You may drag the file to an empty main screen, or on top of existing data. Any existing data will be replaced with the new file. If the present data and fits are not fully saved, you will be offered an option to save the existing file before the new one is opened.