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Computing for Science

The Computing for Science (CS) group supports ILL scientists, students and visitors in a number of activities including data analysis, instrument simulation and sample simulation.

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All Software

PkFit for the Macintosh

A tutorial

The TAS software package Home page

Installing the TAS software package on a Macintosh

PkFit for the MacOS A tutorial

Filingfor the MacOS
A tutorial

Downloading

Installing
the TAS software package on VMS and UNIX

PkFit for VMS/UNIX A tutorial

Filing for VMS/UNIX A tutorial

Contents

Launching PkFit

To launch PkFit, simply double-click on its icon. A header window is displayed and the program waits for a mouse click in that window (shortcut: press "return" or "enter"). PkFit checks that the version you are running is compatible with the system and the hardware of your Macintosh. In fact, to speed up calculations PkFit exists in several versions, each optimized for a specific hardware (e.g., for a MC68020 Motorola processor with/without a Floating Point Unit (FPU) or for a PowerPC processor). If you get an error message at start up, either download a program version compatible with your Macintosh or use an appropriate Macintosh.

If the environment test is satisfied the program then displays a menu bar and a text window in which numerical output and error messages will appear.

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Configuration of PkFit

Before using PkFit, or at any time you, can save a configuration of PkFit in a preference file, Pkf.pref. It is saved in the preference folder of your system folder and this configuration is automatically set next time the program is launched.

Select the item "Preferences" in the menu "Options". A dialogue box allows the program configuration to be set and saved. The left pane shows a set of icons which you can click to select a specific subset of set-up parameters. A vertical scroll bar can be used to move the icons up and down. The right pane shows the dialogue items associated with the selected preference subset.

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Example 1: Energy scan; one-dimensional convolution

Example 2: Energy scan, four-dimensional convolution (not yet available)

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Saving data and results

Select the item "Save As..." from the menu "File" (shortcut command-S). A dialogue box allows you to select the window or the file to be saved.


In the above example the contents of the graphic window will be saved to a PICT file enscan.PLT.

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Printing results

Select the item "Print" from the menu "File" (shortcut command-P). A dialogue box allows you to select the window or the file to be printed.


Here the graphic window will be printed on the current printer (you can select the current printer with the item "Chooser" from the apple menu). Note that the standard dialogue "Page Setup" (item "Page Setup..." from the apple menu) is automatically opened the first time the graphic window is printed and that it cannot be changed afterwards in the current session. However, for other windows or files it can be changed at any time. Be sure to have the text window selected to enable the item "Page Setup...".

Note: due to a bug in the Language Systems FORTRAN compiler, this option is sometimes capricious. If the contents of the text window do not print, use item "Select all" from the menu "Edit" and then item "Print Selection" from the menu "File".

Quitting the program

Select the item "Quit" from the menu "File" (keyboard shortcut command-Q). A dialogue box allows you to save a session file.


The session file contains the final values of the fitted parameters for all the data files which have been processed during the current PkFit session. For each data file the corresponding set of parameters is written on the same line. The session file is a plain TEXT file (ASCII file) with a record length of 650, and with comas as column separators. It can be imported by applications such as Kaleidagraph and is convenient for the study of, e.g., temperature dependencies or dispersion of excitations in a series of scans.

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