Spectral VIEWer

      NOTE: This is a no longer supported legacy program and its function has been taken over by SVIEW_L. Even though that program is part of the AABS package, it is also recommended for standalone operation. The notes below are intended to serve as additional documentation, but the executables now have legacy status.

        This program was originally designed to preview/modify/output broadband rotational spectra recorded with BWO based MMW spectrometers. It can, however, be applied to any type of spectrum and it contains some features not found in commercial spectral transformation programs. The principal options are:

  • input from the compact IFPAN MMW binary storage mode
  • input from two column ASCII, in which case the first line in the file is assumed to contain a descriptive comment, and the remaining lines should contain [frequency,intensity] pairs. The two values in each line should be separated by at least a space or a comma, and it is best if frequency increments are equal. If they are not then the program will interpolate its own equally spaced set of points by cubic splines
  • flexible scrolling/zooming along the frequency and the intensity coordinates
  • measurement of peak frequency, intensity and linewidth
  • automatic peakfinder
  • background subtraction using least squares smoothing
  • normal smoothing
  • output for the gle program which, in turn, can produce publication quality PostScript diagrams
  • output of processed spectrum into the IFPAN MMW binary file
  • easy reconfiguration to adapt to the preferred size/style of the graphics window
  • the program has a half-height option so that SVIEW and ASCP can be used to display predictions and spectra in the form of synchronised strips for easier assignment work - see this example    
  Current version
SVIEW.FOR The listing - this is intended for CVF6 compilation. The compilation options for Visual Studio are:

FORTRAN:   /check:all   /compile_only   /fpscomp:filesfromcmd   /libs:qwins    /nologo   /nopdbfile   /optimize:3   /traceback   /tune:pn1   /architecture:pn1   /static

LINK:   kernel32.lib   /nologo   /subsystem:windows   /pdb:none   /machine:IX86   /out:"Debug/SVIEW.exe"

SVIEW.EXE Standard executable for Win95/Pentium I upwards and for 100000 spectral points. Key properties of the display window, namely size and font may now be read from the file SVIEW.CFG (below). The colour depth of the display should be at least 8 bits (256 colours).

In Win95 and 98 it is most convenient to launch SVIEW from the command prompt (i.e. the window that pretends to be the old MS-DOS) preset to the directory containing the spectra.

In WinNT/2000 (and sometimes in W95/W98) it is better to use drag and drop operation of spectral file onto the program icon. For a lot of work on files in one catalogue it is also useful to navigate there with FileSelect, as NT/2000 (but not W95+), defaults to that directory on further reruns of SVIEW.

If the .CFG file has been tweaked to some nonstandard conditions, and a command prompt launch is preferred, then it is generally safer to launch from 'MS-DOS' in a window, rather than in full-screen mode.




Executables for longer spectra - the F version is for 3M points, 6 and 10 are for 6M and 10M points respectively.

The need for longer versions has arisen from the use of SVIEW to view the FASSST spectra from Ohio State. Several ways for converting those spectra from their native IgorPro version into the SVIEW format have been developed by Ivan Medvedev. Here is an additional one, which is external to IgorPro. This is a stand-alone program: CIS.FOR (source) and CIS.EXE (executable), working on a saved IgorPro wave.


SVIEW.CFG Configuration file for SVIEW, which has to reside in the directory C:\ROT.

This allows setting of window size, of font type and of its style. The text is hard coded for 30x80 characters, so pixel sizes for the window have to be suitable multiples of this. If SVIEW.CFG is not provided then the program will default to a 800x540 pixel window. If settings in SVIEW.CFG cannot be set then the program will display 'Graphic1' instead of the usual header and character size will be noted to be incompatible with window size.

Only the first set of parameter declarations in SVIEW.CFG is used, the remaining sets are examples of other working declarations, and can be substituted /experimented on as required.

SVIEW.EXE can be placed and executed from any directory but the recommended installation procedure is:

  1. Copy SVIEW.EXE and SVIEW.CFG to directory C:\ROT
  2. Place shortcut to SVIEW on the desktop
  3. If command line operation is desired then add C:\ROT to the path
SVIEW_KEYS.PDF Summary of command keys for SVIEW. The pairs of cursor keys for scaling and scrolling operations have been selected on the basis of position on the QWERTY keyboard. The intended ergonomy of use is perturbed on some other (e.g. German, French) keyboards, in which case a possible remedy is to switch to the EN keyboard while using this program.

A byproduct of rapid use of these control keys is that the user can inadvertently press the Ctrl S key combination, which stops the program and it no longer responds. If this happens press Ctrl Q.


CD2I2.031 Sample spectrum to play with (in IFPAN binary format)

snapshot1.gif - snapshot of SVIEW display of part of this spectrum

snapshot2.gif - snapshot of the same segment with baseline subtracted out using the smoothing algorithm

  Legacy versions
SV_M5.FOR The last version with MSF5 graphics - there turned out to be too many limitations and this version is no longer supported. Remember that ANSI.SYS is required for the intended appearance of the front screen.
SV_PS1.FOR The last version with MSPS1 graphics. No longer supported for the same reasons as above. Remember about ANSI.SYS and also that the use of optimization on compilation destroys the graphics.

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MODification of SPEctra

NOTE: This is a no longer supported legacy program but its most useful features have now been transferred to SVIEW_L.

       This program is capable of miscellaneous operations on stored spectra. It supports all file formats, which have been used at IFPAN - without the frequency scale, with nonlinear frequency scale, and with linear frequency scale. Only the linear frequency scale spectra are currently used and the most useful options not available in SVIEW :

  • merging of spectra
  • chopping of spectra
  • reversal and various rescaling options for X and Y axes
  • modification of header information
  • output of spectra as two column ASCII
  • conversion of spectrum to sticks for display with ASCP
  • printout of long spectra on a single strip of paper (but only on old mosaic printers)

MODSPE.FOR MODSPE1.FOR The listing - the program is for compilation with MSF5 and, owing to limitations of that compiler, has to be compiled as two modules, combined at the linking stage.

ANSI.SYS is required for the intended appearance of the text screens - this is a set of commands to generate fancy looking text in the old MS-DOS, and they are still available for the MS-DOS window in current Windows. To activate this feature place the line DEVICE=%path%\ANSI.SYS in your CONFIG.SYS or the CONFIG.NT file, where %path% is the appropriate path. Be aware that the ANSI.SYS commands were one of the earliest features of the early DOS exploited by some viruses to do their dirty work - this is now hopefully only of historical interest.

MODSPE.EXE Executable compiled with MSF5, launched from the MS-DOS command prompt. Use the CD2I2.031 spectrum as an example.

This is a 16-bit executable and these days it cannot be launched directly in Windows, but it is possible to use a suitable emulator, such as DOSBOX.

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 LISTing of SPEtra in IFPAN binary format

       This program produces a listing of spectral files saved in the binary standard used at IFPAN and read by SVIEW_L.  The file entries are sorted according to frequency and the resulting list is saved  to file LIST.

        LISTSPE should be launched from the command window opened on the directory of interest, since the program will only inspect the contents of the current directory.

        The program is used when the frequency region of interest is covered by multiple spectra and is analysed by means of the AABS package.  If the LIST file can be placed in the project directory, then it will be read by the  ASCP_L program.  The frequency coverage of the various spectra will be displayed on the frequency scale and file names will appear at top-left of the program window. 

LISTSPE.FOR The listing. The program is limited to the NTFS file system..
LISTSPE.EXE The executable.
LIST Specimen output file produced by LISTSPE

Other versions
Lister for spectra recorded with the waveguide FTMW spectrometer, saved in the binary standard of the Kiel laboratory.  These files are read by the VKIEL program, which can generate a synthetic spectrum of all files found in a given subdirectory.  The availability of such a file to ASCP_L allows easy navigation between segments in such a spectrum.

Lister for chirped pulse spectra saved in the binary .FID standard of the IFPAN laboratory.

Legacy versions
Legacy version, which required preliminary manual generation of a directory listing using:

        dir specnam.*>A         for DOS/Win95+

        dir specnam.*/-N>A        for NT/W2000

The directory listing file A was then declared as input file for SLIST, which inspected all spectral files in turn and write a frequency sorted listing of their contents to file LIST.
The earliest versions of this program required ANSI.SYS.

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File Manager for FTMW spectral files

        This program manages archives of spectral files recorded on the IFPAN FTMW spectrometer. Archives are in a simplified format consisting of binary coded spectra stuck end to end. The principal options are:

  • creation of a new archive and placement of all spectral files in the current directory in this archive
  • addition of spectral files in the current directory to one of the archives already in existence in this directory
  • extraction of all spectral files from a selected archive to the current directory
  • listing of files in a selected archive, this option also stamps old archives with frequency limits of spectra in the archive
  • compatibility with both single and double frequency down-conversion IFPAN files
FM.FOR The listing - this only has text screen operations and is intended to be launched from the MS-DOS window (i.e. the command prompt) first set to the directory containing the files of interest
FM.EXE Windows executable.

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Viewer for FTMW Spectra

        This program manages archives of spectral files recorded on the IFPAN FTMW spectrometer. Archives are in a simplified format consisting of binary coded spectra stuck end to end. The principal options are:

  • creation of a new archive and placement of all spectral files in the current directory in this archive
  • addition of spectral files in the current directory to one of the archives already in existence in this directory
  • extraction of all spectral files from a selected archive to the current directory
  • listing of files in a selected archive, this option also stamps old archives with frequency limits of spectra in the archive
  • compatibility with both single and double frequency down-conversion IFPAN files

       This program views FIDs from supersonic expansion, cavity FTMW spectroscopy and carries out FFT to the frequency domain.  The FIDs can be either from a collection of individual files or can be extracted from archives created with FM. The principal options are:

  • selection from among the available archives or display of all unarchived spectra found in the current directory
  • initial summary screen of interferogram intensities as a function of frequency
  • scrollable main summary screen of the appearance of nine neighbouring interferograms at a time
  • display of each individual interferogram/its FFT with options for tailoring the FFT conditions, scrolling, peak measurement and ASCII dumps of data for plots with gle
  • generation of synthetic frequency domain spectra from all interferograms read into the program
  • compatibility with both single and double frequency down-conversion IFPAN files
The name of this program is not exactly transparent but results from evolution from the first 1998 version, which took place in the following stages:
VIEWM (DOS version) -> V32 (32 bit system version) -> V6 (Windows graphics with CVF6 Fortran) -> V6_20 (update to deal with single step frequency downconversion to 20MHz)

  Current version
V6_20.HDR The header part of the listing allowing a quick check of the date of the current version and modifications.  Subversions of the program are identified by the date printed on the launch screen.
V6_20.EXE The Windows executable, which can deal with:
  1. up to 550 spectral files
  2. up to 25000 points in each interferogram

IMPORTANT: The program uses a specific scheme of reading all files in the current directory, termed 8.3 filenames.  In more recent versions of Windows (such as W10) support of this scheme, though available, may not be switched on by default.  In order to do this you need to open the Command Prompt window as an Administrator and type:

fsutil behavior set disable8dot3 0

This sets an appropriate registry value, but even then input of files with long names generated prior to 8.3 support will not take place.  But if all such files are copied to some temporary directory, the originals deleted, and the files copied back, then 8.3 access will be possible.

V6.CFG Configuration file defining the graphics window to be used by V6_20.
This file has to be placed in the mandatory directory c:\FFT, and it is also recommended that  V6_20.EXE is also placed there.

  Legacy versions
V6.FOR Listing of the version for double frequency down-conversion (to zero frequency with folded upper and lower sidebands), which has been extensively rewritten for compilation with CVF6
V6.EXE The executable from compilation with CVF6.5, for 800x600 pixel graphics and
  1. up to 500 spectral files
  2. up to 850 points in each interferogram

V32.FOR The listing of the last version prior to CVF6.
V32.EXE Standard version of the above (MSPS1, VGA graphics), limits:
  1. 500 spectral files
  2. 850 points in each interferogram
V324.EXE MSPS4 version, dimensioning as for V32

VIEWM.FOR First part of listing for MSF5 compilation
VIEWM1.FOR Second part of listing for MSF5 compilation, compile separately, then link.
VIEWM.EXE Small version for operation in low DOS memory (MSF5, VGA graphics) with decreased limits of
  1. 70 spectral files
  2. 400 points in each interferogram

VIEWF.FOR Viewer of all spectral files in the current directory.  Microsoft graphics and is set for simplest compilation: MSF5 and execution in lower memory.
VIEWF.EXE MSF5 executable for VGA graphics only.

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General FFT program for Spectral data

        This is a general FFT program primarily designed to deal with various types of Free Induction Decay (FID) records obtained with FTMW spectroscopy.

        It is possible to use straightforward input from (time,intensity) ASCII pairs, but the program also contains many optimisations designed for IFPAN multi-microwave pulse per one gas pulse schemes of chirped-pulse and Balle-Flygare cavity spectroscopy. NEW (Jan2020): input of .DAT files from the FTMW++ program of J-U. Grabow is supported.

        The key features of the program have been described in the paper: Z.Kisiel, J.Kosarzewski, Acta Physica Polonica A, 131, 311-317 (2017), which is recommended for citing the use of FFTS.  Some features that have proven most useful in general use:

  • choice of windowing functions and of zero filling length,
  • ability to see lines outside the nominal excitation regions, such as below 8 GHz for 8-18GHz chirped pulse FIDs, or above 8 GHz for 2-8 GHz chirped pulse FIDs (see Fig.6 of the reference paper),
  • multiple operations on multipulse FID  records, including snippet FFT diagnostics (see Fig.4 of paper),
  • time domain removal of spurious/unwanted lines,
  • output to format of the SVIEW_L viewer of the AABS package.

        FFTS reads several types of files:

  • Binary .FID files converted from the multipulse traces averaged with the LeCroy 735 oscilloscope and initially saved as its own binary .TRC files.  Those are first converted to .FID files by using the program WF735 (automatic during measurement on the IFPAN cavity FTMW spectrometer).   Each .FID file is compatible with the binary .SPE standard of SVIEW_L, but is accompanied by a .TRC.INF file containing in ASCII information derived from the oscilloscope waveform header and the pulsing parameters.  The .FID  files preserve the multi-microwave pulsing information per one gas pulse, which can be diagnosed and coadded in different ways.
  • Binary .FFT files in the .FFT standard where the microwave multi-pulsing per single gas pulse has been coadded.  The FIDs can be:
  1. chirped pulse excitation files (multi Mpt files supported)
  2. cavity FTMW files from single frequency conversion (typically to 20 MHz)
  3. cavity FTMW files from legacy double frequency conversion to zero IF (in this case the display is treated as +ve sideband only)
  • Two column ASCII files with (time,intensity) points, where time has to be given in microseconds and has to be in uniform increments.  This is the most general input option, but once in the FFT screen it is recommended that the data is saved as a binary .FFT file since this is a compact representation with 4-bytes used per point intensity, and little additional overhead.
  • Binary .DAT files containing FIDs recorded with the FTMW++ program of Jens Uwe Grabow.  The files can be processed within FFTS, and can also be converted to .FFT format for use by V6_20.  That program supports batch file input and spectrum synthesis.

        Drag and drop file input is supported.  FFTS is also usually declared as the default program to open files of the type .FID and .FFT.
        Once the data has been read FFTS operation is through several different screens.  The first (usually manually or automatically skipped) screen is the coaddition screen, which gives access to several diagnostic screens and to the most commonly used FFT screen.  Each screen is operated with keyboard key selected options, and either displays a list of active keys or gives access to a dedicated help screen.
        The options for the most commonly used FFT screen:

A,S horizontal shift (lower case = slow, upper case = fast)
Q,E horizontal zoom
W,Z vertical scaling
F go to a specified frequency (+ve value) or set the display width (-ve value)
N change zero filling (n = 0,1,2,3..)
ctrl N change the windowing function
ctrl O remove the nearest peak in the frequency domain by fitting a constant intensity sine wave in the time domain
ctrl P remove the nearest peak by fitting an exponentially decaying sine wave
T toggle the display Y-axis between power/amplitude/modified amplitude
H show the help screen
U binary/ASCII output of the current FFT
ENTER output of the coadded FID to a binary .FFT standard file

I Go to the FID inspection screen.  The main task in this screen is to refine the  selection of the region to be used for the FFT by setting suitable markers with the A,S and K,L keys.  Several FID transformation/filtering/inspection options are also available there.

Running FFTS under Linux

The program has been tested under Ubuntu/Wine in the configuration as described for the AABS package.  The installation of FFTS is simpler than of AABS, and it is only necessary to:
  • copy the v6.cfg file to a user created directory ~/.wine/fft
  • copy the ffts.exe file to a suitable directory such as ~/Documents/rot or ~/Documents/fft , depending on the preferred location of the molecule project directories

FFTS.HDR The header part of the listing allowing a quick check of the date of the current version and modifications.  Subversions of the program are identified by the date printed on the launch screen.
FFTS.EXE Windows executable.
V6.CFG Configuration file defining the graphics window to be used by FFTS.
This file has to be placed in the mandatory directory c:\FFT, and it is also recommended that  FFTS.EXE is also placed there.
The settings in this file are explained in its header text, but you might also find the description of the related AABS.CFG file to be of some use.


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Viewer for KIEL FTMW spectral files in the current directory

        This program views FTMW files in the current directory that have been recorded in one of the two standards encountered in Kiel:

  • MWFTSBI 1.0 of the X/P band waveguide spectrometer
  • FTMW2.x of the K-band waveguide spectrometer

        The program reads all interferograms in the selected directory, provides an overview of their coverage, and allows easy access to each interferogram. The available processing options are:

  • FFT with zero-filling up to 64k points using the spctrm routine, which gives better resolution and less distortion in the frequency spectrum than realft - see comparison1 and comparison2
  • Amplitude and power spectra
  • Easy scrollability and measurement of the frequency-domain spectrum
  • Optimisation of the FFT by several filtering options in the time-domain, and user selection of points subjected to the FFT - see the effects on the right hand side of comparison1
  • gle output for PostScript diagrams
  • Flexible combination of interferograms into a single synthetic spectrum with user configurable options. The spectrum can then be inspected/processed further with program SVIEW_L of the AABS package.  It can be confronted with predictions and standard mechanisms for measuring lines and creating the fitting data files can be used.  The interferograms can be the result of a scan, such as that made with MWFTSBI but this is not mandatory.

VKIEL.HDR The header part of the listing allowing a quick check of the date of the current version and modifications.  Subversions of the program are identified by the date printed on the launch screen.

The Win32 executable.  In Windows10 the program window may exhibit additional decoration on the borders (such as minimum scroll bars).  In that case specify the program to be run with WinXP compatibility using:

Right click on the executable -> Properties -> Compatibility tab -> tick the box "Run this program in compatibility mode for:" -> select "Windows XP (Service Pack3)" -> Apply

VKIEL is compiled to read up to 1000 FTMW files, each up to 4096 points long.  For program startup, do any one of:

  1. Call the program from the command line set to the directory containing the data, assuming the PATH leads to the directory containing VKIEL.EXE
  2. Launch the program from an icon on the desktop
  3. Launch the program from any file manager

Only method 1/ assures that the program will operate directly on the directory of choice. In methods 2/ and 3/ the starting directory depends on the operating system and previous usage. It might be necessary to navigate to the directory with spectra using the SelectFile window obtained by pressing the ESC key while in the title screen.

VKIEL.CFG Optional configuration file for VKIEL, which has to reside in the directory C:\FFT. If this file is not used then the program defaults to window size of 800x540 pixels.

The use of VKIEL.CFG and istallation of VKIEL are analogous to those described for SVIEW.CFG, with the difference that the directory is to be C:\FFT instead of C:\ROT.

Accessory program
LISTWG.FOR Listing program for VKIEL compatible files present in the current directory.  This program produces the file LIST for use by program ASCP_L of the AABS package by identifying the available spectra on the frequency axis and by displaying the relevant file names.
LISTWG.EXE Windows executable.


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FID FITting in the time domain

        This is a modified version of the program
DECAYSBN2B with operation  as described in:

  •  J.Haekel and H.Mader,  "Determination of Spectral Parameters in Microwave Spectroscopy by Analysis of Time-Domain Signals",   Z.Naturforsch. 43a, 203-206 (1988)
        DECAYSBN was written by Jurgen Haekel, a PhD student of Heinrich Mader at the Institut fur Physikalische Chemie of the University of Kiel, Germany.

        The program allows line by line fitting of Microwave Fourier Transform  data directly in the time-domain.  There are many uses, such as removal of  strong lines from the spectrum or the determination of the relaxation parameter T2 with statistics.  

        FIDFIT keeps the internal workings of DECAYSBN unchanged, while bringing it into the XXIst century.  Binary spectral files are in the standard read by the VKIEL program, which can be used to inspect/modify the results of FIDFIT.

FIDFIT.FOR The source code.  The program is a work in progress, in proportion to the understanding reached concerning its operation.
FIDFIT.EXE The Win32 executable.  This is a straightforward console program, so it can also be compiled and run under Linux.

The most convenient mode of operation is to use a control ("Steuerung") file, which contains the responses to questions posed by the program for a given mode of operation.

Worked example
Annotated control file for fitting (and removal) of the three dominant lines in spectrum fbenz.165

Note that for alphanumeric string input the annotations need to be placed after the first 20 columns.  For numerical input these have to be after the last expected number.
fbenz165.001 Program output.  A single configuration file allows multiple runs and the extension (.001 in this case) is assigned by the program.
fbenz.165 Source spectrum (binary file)
fbenz165.res Residual spectrum (binary file) and comparisons of before and after frequency and time-domain plots

Legacy code
The original, unmodified code of the program dated 1992.

For practical reasons the code was split into four segments, but these can be concatenated and compile with only minor tweaks.  Actual operation on current data requires changes to input/output file handling.
Binary file structure used by DECAYSBN

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