PEST Utilities


These programs are run from a MS-DOS or UNIX command prompt. They are not run using a mouse and pretty windows ! They also can make use of a number of different file formats. Thus, they are portable to many different computer systems.

Running command line programs

7.1	AUTOCOR		Autocorrelation utility 

The Autocorrelation function finds periodicities in time series
data.  When applied to epr data, the function returns splitting
constant values without respect to nuclear spin.

Usage:  autocor  [-a #.#] [-f#] filename

        -a #.#  Max hyperfine (G) for searching, default= 20.0
        -f#     filetype:
                 0      LMB binary (default)
                 1      ASCII text w/o header
                 2      ASCII text with header
                 3      Bruker SPC
                 4      HP BDAT to ASCII

Example: autocor -a 10.0 -f0 test.lmb

	This would autocorrelate the NIEHS binary format file 
	test.lmb for hyperfine couplings up to 10 G.
         




7.2 - FREP - File Reporting utility

Prints out header information from EPR data files.

Usage: frep [-e] [-n] [-s text] [-p psfile] [-f#] filename

        -e      print extended text
        -n      print filenames only.  Useful for automation
        -p      print postscript plot and parameters
        -r      resize the plot
        -s      search for 'text'.  If not found nothing is printed.
        -f#     filetype:
                 0      LMB binary (default)
                 1      ASCII text w/o header
                 2      ASCII text with header
                 3      Bruker SPC
                 4      HP BDAT to ASCII

Automation example

You can use the command prompt shell to automate the process.  For instance, If 
you have several files with the ".lmb" suffix, you can use the following command 
to search for "nitro" ( UNIX users try 'foreach' ) :

        for %1 in (*.lmb) do frep -s nitro %1 >> output.txt 

All the files with the suffix ".lmb" will be searched for the text "nitro" and, 
if successful, the information text lines will be redirected into the file 
"output.txt" which can be examined or printed.

Printing example

Using the "-p" option will instruct frep to produce postscript output suitable for 
any postscript viewer or printer.  This command creates a postscript file "test.ps":

        frep -p 080295-1.lmb > test.ps

To resize the data to the page and output the data directly to a postscript printer:

        frep -p -r 080295-1.lmb > lpt1






7.3 - FCON - File Conversion utility 

Usage:  fcon filename1 filetype1 filename2 filetype2

        filename1       source filename
        filename2       target filename
        filetypes:
                 0      LMB binary (default)
                 1      ASCII text w/o header
                 2      ASCII text with header
                 3      Bruker SPC
                 4      HP BDAT to ASCII

Example: fcon test.spc 3 test.lmb 0

        This would convert the file test.spc from Bruker format
        to a new file test.lmb in the NIEHS binary format.

Conversion to HTML by DRD, Feb 1996