R. Ghosh, November 2007
This guide shows the components of clickfit programs which are created automatically or which are included with each clickfit pogram but which may then be edited to suit local needs.
The main aim of clickfit was to offer an easy usage of programs written with the fitfun library. The latter offers an easy method of re-using user-supplied read-in and calculation routines which are integrated into a powerful fitting engine with integrated graphics.
Clickfit is an example written in tcl/tk script to drive fitfun model fitting programs with a modern graphical interface. Each program has a text configuration file which manages the program location, help files, and layout of the prompt windows which then are sent to the fitfun program. There are two variants:
clickfit - which treats single or sequences of data
clickfit_m which treats simultaneously several sets of data
In the following description clickfit will be used as being the generally applicable name, and variants will be mentioned for clickfit_m.
A brief technical description of the communications may help resolve running problems, as may the log files.
Nach oben
Clickfit is a text file which is read by the wish program on unix-like systems (clickfit.tcl or clickfit_m.tcl) and for windows is a batch file (clickfit.bat, clickfit_m.bat)which assumes the wish program is available.
For unix/linux/OsX (adding any necessary path names):
% wish -f clickfit.tcl The current clickfit configuration is stored in $HOME/clickfit/ffn (or $HOME/clickfit/ffm)
For Windows:
clickfit.bat
The first line in this file contains the path to the wish program required to execute the script. If clickfit.bat is inserted in the program directory of the Windows Prop program launcher this should work directly. The current clickfit configuration is stored in %APPDAT%\clickfit\ffn (or ffm).
If the configuration file is not found (or has been deliberately deleted) clickfit prompts for two important pieces of information
The location of the graphics components of the PGPLOT library (font files, graphics server etc). If defined it will use the environment variable PGPLOT_DIR by default.
The default location of program files: this allows help files for related programs to be shared, as well as enableing sets of programs and configuration files to be transferred to other systems easily by using this as a default path. Select the line (left click) and press the edit button to modify the line.
The programs are introduced into the selection list using the Add fit program btton. Each program has a configuration file which sets up the input boxes and help files for clickfit. If the configuration file (eg f24s.fcl) is found it is added to the list. The default directory is the program directory.
Separate sets of programs may be selected by manually renaming these configuration files.
Nach oben
After the initialisation the window shows the programs available. Clicking on a program name launches it directly.
This then brings up the prelude window (if used). The prelude obtains information which is required throughout the analysis.
The labels and fields are defined in the configuration file, and are passed to the program as a string which has to be interpreted to obtain the separate fields as shown in the source example below. Some field types can check that the input is within valid limits, or that files named actually exist.
The main clickfit window is then shown. Individual parameters may be modified by double clicking the line and then modifying the value. A non-zero step must be set if a parameter is to be varied. Typically the step is set to 1.0 (qv the fitfun description
Fitting starts by reading in data using the Read data button. This brings up the data read-in panel.
The initial fit can then be viewed pressing the trial fit button
The paramters may be modified by hand to improve the starting point, or if satisfactory a number of iterations can be set off.
The result may be viewed with the trial fit button again.
This program includes an extension routine FTEXTP which can produce a better annotated final plot. This "external" (i.e. not in the fitfun library) is called using the "J" command. One way to use this is to set it in the Memo menu, which can store up to four useful manual commands. An alternative way is to configure the j-command with an input box in the configuration file. This is then invoked using the "extras/special command menu. The input has to be read by the programmers routine FTEXTP from the buffer. (In the example "J H" will produce a PostScript plot in addition. This improved plot is shown below.
The fitfun library allows considerable flexibility for the programmer to "mix and match" routines for reading data, calculation and extra displays. The principal components of a program are illustrated below for the program f24s which will fit up to four peaks to diffraction data.
an initial, prelude section
In this case the detector efficiency corrections can be read-in, together with modified off-set angles. Typically this information is passed through "private" commons for re-use, e.g. in the read-in routine later.
a data read-in routine
in this case the remainder of the R command line is used to find one spectrum number and frame number for treatment
the calculation routine
This calculates the sum of several peak shapes with the measured resolution function, allowing fitfun to optimise the parameters given a non-zero step.
Essentially the same GUI interface routines can control either single data fits (using library fitfun v7.0) or simultaneous fitting of several sets (fitfun_m v7.1) This section offers most of the original features of the fitfun command line which remain available in the menu Extras/Command
Menu options
File
Save parameters into a *.ffn or *.ffm file, used on restart.
Append to list file outputs current fit information to listfile
Read in brings up data input panel
Exit terminates program
Parameters
edit parameter edit parameter and step
Link steps parameters grouped to be varied with the same step
Copy parameter set* copies parameters from one dataset for another
Fitting
Limit x Ranges Restrict fitting to three x ranges (max)
Step size The fractional step multiplied by the parameter
step size for numerical derivatives
Graphics
Set scales sets scale limits for x and y
Append PostScript plot add a plot of the current fit to file
Cursor toggle cursor on/off in next display
Title Add title to next plots
Write plot datafile Write out fits and data as ascii file
View
View log Displays current log file
View sets* lists current sets
Extras
Special Function (J command - often a display/output
option
Command Access to basic fitfun command line
Debug Toggles on and off - shows comms
Memo up to 4 manual commands can be stored/recalled
Help Help file (or other file if configured)
Modify parameters Double click on parameter line
Buttons
Clear data* resets all sets
Show all parameters* displays parameters for all sets
Select set for display* give set number for current display
Fit Sequence+ fit a sequence of data using input control file
Make Sequence+ will filter a sequence of filenames to treat
SAVE SAVE current parameter (reread at next start)
Restart when configured - restart prgram
Display Data display current data (with/without cursor)
Trial Fit Show current model calculation
Fit Iterations iterate the indicated (max) number of times
EXIT EXIT program (please AVOID terminating window)
+ Clickfit
* Clickfit_m
The above example f24s shows how a production program can be developed from a prototype, using the additional J command. The programmer can supply the routines
FTPXTP to do more elegant plotting of final results etc.
FTXHLP to give addditional help information (terminal version)
FTQSOP to write out additional (e.g. in spreadsheet format)
(called after fitting sequences of data (not clickfit_m)
Dummy routines are included in the library which are then replaced by the programmer's own routines.
When the data read is only a simple filename the "fit sequence" button is enabled, and a file browser is shown allowing sets of data to be selected for fitting after the names have been filtered, and an output file namme has been set for the results (a full copy of the parameters for each file). The FTQSOP routine may also be provided by the programmer to perform a more selective output as shown here. When more than one parameter is required (as here in dealing with multi-run/multi-frame data) the control file for the sequence fits has to be constructed by the user. For f24s a short tcl script program can generate this file xprep_f24s.bat or xprep_f24s.tcl
Once the 2d scan has been set up the file is written and then entered in the clickfit sequence file box to fit the sequence.
A control file has the form shown below:
D20 data fitting
out_1.out
U
50
1000 1
1000 2
1000 3
1001 1
1001 2
1001 3
line 1 is a title
line 2 is the output file name for all parameters
line 3 is U or T (update parameters after each fit or hold as at start)
line 4 is the maximummnumber of iterations
lines 5 onwards are the information sent in the R (read data) command
This program reads data from the D20 neutron multidetector diffractometer at the ILL and fits up to for peaks with a choice of model peak shapes for selected regions of data. The instrument is often used scanning temperature or other environment constraints and it is useful to treat sequences of measurements.
MAIN Program and extra help information (FTXHLP)
program f24s
c**** Fits up to 4 peaks to sequences of D20 data
c g77 -o f24s f24s.f calskp.f calskpx.f libfitfun.a \
c librlib.a libpgplot.a -lX11
c
c MinGW
c g77 -o f24s f24s.f calskp.f calskpx.f d:/libm/libffn70m.a
c d:/libm/librlib.a d:/libm/libpggw520.a -mconsole -mwindows
c
c note version of calskp has background at centre of first peak
c (parameter 8), and Gaussian then Lorentzian....
EXTERNAL DIFIN,CALSKP
C calskp calculates sum of up to four peaks
COMMON/WORK/W(160000)
COMMON/TITLES/NAMES(40),TX,TY
COMMON/TITLEP/NPARAS
COMMON/VERSION/VERP
COMMON/TTYIO/INTY,INTTY,IERT
COMMON/FCLOSE/ICLOSE,ISTART
COMMON/PROGCH/PNAMC
common/guiuse/ignum,insta,iosta,irsta
common/comin/bufin
character*150 bufin
CHARACTER*8 NAMES
CHARACTER*4 PNAM,PNAMC
CHARACTER*20 TX,TY
DATA NAMES/ 'FLAT BGD','slope BG','(spare)','FACTOR F',
1'P1 type ','P1 area ','P1 width','P1 posn ','P1 modif',
1'P2 type ','P2 area ','P2 width','P2 posn ','P2 modif',
1'P3 type ','P3 area ','P3 width','P3 posn ','P3 modif',
1'P4 type ','P4 area ','P4 width','P4 posn ','P4 modif',
116*' '/
DATA TX /'Two_Theta'/
DATA TY /'Counts'/
INTY=5
INTTY=6
NPARAS=24
VERP=4.0
WRITE(6,1) VERP
1 FORMAT(' f24s - version ',f4.1,' June 2007 (R.E. Ghosh, ILL)'
1//' Fits up to 4 peaks in sequences of D20 datasets '/)
PNAM='f24s'
PNAMC=PNAM
C***** LEAVE OPEN DATA FILES
ICLOSE=0
c***** plotting is closed only here, not by fitfun routines
call prelude(pnam)
if(ignum.gt.0) call innorc
c***** clickfit prelude info from inbuf used to set up normalisation
if(ignum.gt.0) go to 8888
CALL INNOR
c***** detector normalisations read in at start
WRITE(6,11)
11 FORMAT(/' Fits up to 4 peaks in sequences of D20 datasets '/
1//' Manual peak fitting and parameter initialisation'//
1' Peak type :'/
1' 1 Single Gaussian'/
1' 2 Single Lorenztian'/
1' 3 Voigt - Lorenztian width shown'/
1' 4 Skewed Gaussian'/
1' Modifier parameter for Voigt is Gaussian width '/
1' Modifier parameter for Skewed Gaussian is LHS-width/RHS'/
1' Width values are half width at half height'/
1' Background is value at centre of first peak'/)
8888 continue
C***** LEAVE OPEN DATA FILES
ICLOSE=0
c***** plotting is closed only here, not by fitfun routines
CALL FTFUNS(PNAM,DIFIN,CALskp)
CALL LPENDF
C***** CLOSE ANY LISTING FILE...
c CALL SSEND
C***** CLOSE ANY Spreadsheet FILE...
CALL PGNEND(1)
CALL PGNEND(2)
C***** CLOSE OPEN GRAPHICS
end
SUBROUTINE FTXHLP(IOTTY)
WRITE(IOTTY,1)
1 FORMAT(/' f24s'/
1' fitting peaks to diffraction data'//
1' PEAK TYPE 1 Single Gaussian'/
1' 2 Single Lorentzian'/
1' 3 Voigt - Lorentzian width shown'/
1' 4 Skewed Gaussian'/
1' Modifier parameter for Voigt is Gaussian width '/
1' Modifier parameter for Skewed Gaussian is LHS-width/RHS'/
1' Width values are half width at half height'/
1/' Command J for component plots'/)
RETURN
END
The prelude routine sees whether the program has been started manually (ignum=0) or by clickfit. In the latter case there will be the input box results in the string bufin. The routines innor or innorc are then called to read the efficiency data, the first prompting the terminal user, the second reading bufin. The call to prelude may be omitted if no information is required (it is included in the main library automatically)
Treating the prelude information
One routine INNOR, used in the terminal version prompts for input data. The second reads the buffer filled with the prelude window information.
subroutine innor
c***** reads either efficiency file or vanadium run
c the efficiency multipliers are returned in array v
parameter (maxdat=2100)
character*1 text(480)
character*10 nomexp
character*20 ddate
character opt,str1*80,str*60,mm*1
character titn*50,fnamn*50,fnamb*50
common /ind20p/dor,pmm,pdm,pdd,paq,sam,scn
real dor(30),pmm(25),pdm(30),pdd(15),paq(55),sam(15)
real xob(maxdat),yob(maxdat),yrob(maxdat),yer(maxdat)
real scn(35)
common /ind20c/text
common /ind20u/nunit
common /difitr/ num,nsp,nsu
common /difnor/ v(1600),nnor
common /difzer/zang
common /difmon/xmon
common /difnorc/titn,fnamn
common /outtty/kout
integer idon(1600)
kout=6
nnor=0
C**** There does not seem to be a 30 deg. offset now (Apr. 2001)
zang=0.
xmon=0.
do i=1,1600
v(i)=1.
end do
fnamb=' Not used'
fnamn=fnamb
1003 write(6,1005)
1005 format(/' Initial options to read and normalise subspectrum: '/
1' C Continue now to data fitting'/
1' V n Set vanadium run n'/
1' N name Set efficiency file name'/
1' M m Monitor renormalisation (o=none)'/
1' Z a modify zero angle (0.0) '/
1' L i j List run i subspectrum j'/
1' H Help'//)
1000 if(nnor.eq.0) write(kout,10)
10 format(' No vanadium normalisation run ')
if(nnor.gt.0) write(6,42) nnor,sum,dev
42 format(' Vanadium Normalisation run ',i6,' Average: ',f14.2,
1' deviation ',f10.3)
11 format(' Normalisation run: ',i6)
write(kout,12) zang
12 format(' Zero angle : ',f8.3)
write(kout,9) fnamn
9 format(' Efficiency file name ',a)
if(fnamn.ne.fnamb) write(kout,13) titn
13 format(' Efficiency file title :',a)
write(kout,14) xmon
14 format(' New monitor value :',f10.1)
str1=' '
write(6,212)
212 format(' Type option C,V,Z,M,N,L,D,HELP : ',$)
read(5,200,end=600) opt,str1
200 format(2a)
str1(61:80)=' 0 0 0 0 0 0 /'
if(opt.eq.'H'.or.opt.eq.'h') go to 1003
if(opt.eq.'L'.or.opt.eq.'l') go to 30
if(opt.eq.'V'.or.opt.eq.'v') go to 40
if(opt.eq.'Z'.or.opt.eq.'z') go to 50
if(opt.eq.'M'.or.opt.eq.'m') go to 80
if(opt.eq.'N'.or.opt.eq.'n') go to 90
if(opt.eq.'C'.or.opt.eq.'c') go to 500
if(opt.eq.'E'.or.opt.eq.'e') stop
go to 1000
c
c***** L list run...sub
c
30 read(str1,*,err=1000) nnumr,nnums
if(nnumr.le.0) go to 1003
if(nnums.le.0) nnums=1
call ind20(ier,nnumr,nomexp,ddate,text
1,dor,pmm,pdm,pdd,paq,sam,nsu,nsp)
if(ier.ne.0) go to 39
write(kout,301) nnumr,nsu,nsp
301 format(' Run ',i6,' has ',i4,' subspectra starting at #',i4)
if(nnums.le.0.or.nnums.ge.nsp+nsu) go to 1000
call ind20s(nnums,scn,idon,ier)
call ind20x
c***** close file
if(ier.eq.0) go to 305
go to 1000
305 sum=0
do i=1,1600
sum=sum+idon(i)
end do
write(kout,32)idon
32 format(10i7)
write(kout,33) nnumr,nnums,sum
33 format(' Run',i8,' sub',i4,' sum = ',f16.0)
go to 1000
39 write(6,38)
38 format(' Error reading data')
call ind20x
go to 1000
c
c
c***** V Normalisation
c
40 read(str1,*,err=1000) nnum
if(nnum.lt.0) go to 1003
c***** cancel any efficiency file
fnamn=fnamb
nnor=nnum
if(nnor.gt.0) go to 41
do i=1,1600
v(i)=1.
end do
nnor=0
go to 1000
41 continue
ninum=num
c***** save current open numor
call ind20(ier,nnor,nomexp,ddate,text
1,dor,pmm,pdm,pdd,paq,sam,nsu,nsp)
if(ier.ne.0) go to 49
nget=1
call ind20s(nget,scn,idon,ier)
if(ier.ne.0) go to 49
sum=0
do i=500,1300
sum=sum+idon(i)
end do
sum=sum/800.
dev=0
if(sum.eq.0) go to 49
do i=1,1600
if(i.gt.500.and.i.le.1300)dev=dev+(sum-idon(i))**2
v(i)=0.
if(idon(i).gt.0) v(i)=sum/idon(i)
c***** v will be used as a multiplier
end do
dev=sqrt(dev)/800.
call ind20x
c***** close file
go to 1000
49 write(6,48)
48 format(' Error reading vanadium normalisation data')
nnor=0
call ind20x
go to 1000
c
c***** Z set zero angle...
c
50 read(str1,*,err=1000)zang
go to 1000
c
c***** Monitor renormalisation
c
80 read(str1,*,err=1000) xxmon
xmon=0.
if(xxmon.gt.0) xmon=xxmon
c***** note: d20 counts only on time preset ('cos of strobe electronics)
c sometimes monitor is not written correctly
c normal option if xmon is 0 is to ignore monitor renormalisation
go to 1000
c
c
c***** N efficiency normalisation file
c
90 j=0
do i=1,50
j=i
if(str1(i:i).ne.' ') go to 91
end do
92 write(6,93)
93 format(' No efficiency file will be used')
nnor=0
go to 1000
91 call trimmd(str1(j:50),lf)
fnamn=str1(j:lf+j)
open(8,file=str1(j:lf+j),status='old',err=96)
read(8,94,err=96,end=96) titn
94 format(a)
write(6,95) titn
95 format(' Normalisation file : ',a)
c first contains angles, second multipliers
read(8,*,err=96,end=96) v
read(8,*,err=96,end=96) v
close(unit=8)
nnor=1
go to 1000
96 write(6,97) str1(j:j+lf)
97 format(' Error reading efficiency file :',a//)
titn='Not used'
close(unit=8)
do i=1,1600
v(i)=1.
end do
go to 1000
C
C***** continue to fit section
C
500 return
600 stop
end
subroutine innorc
c***** version for clickfit using data from bufin
c this contains
c "V|N| " "filename" Monitor Zero_angle
c***** reads either efficiency file or vanadium run
c the efficiency multipliers are returned in array v
parameter (maxdat=2100)
character*1 text(480)
character*10 nomexp
character*20 ddate
character opt,str1*80,str*60,mm*1
character titn*50,fnamn*50,fnamb*50
common /ind20p/dor,pmm,pdm,pdd,paq,sam,scn
real dor(30),pmm(25),pdm(30),pdd(15),paq(55),sam(15)
real xob(maxdat),yob(maxdat),yrob(maxdat),yer(maxdat)
real scn(35)
common /comin/bufin
common /ind20c/text
common /ind20u/nunit
common /difitr/ num,nsp,nsu
common /difnor/ v(1600),nnor
common /difzer/zang
common /difmon/xmon
common /difnorc/titn,fnamn
common /outtty/kout
character*150 bufin
character*1 nortyp
character*50 nfile
integer idon(1600)
read(bufin,*) nortyp,nfile,xxmon,zangg
c***** a * format is necessary because clickfit gives quoted
c list of text fields
c the prelude info is listed in the log file
kout=6
nnor=0
C**** There does not seem to be a 30 deg. offset now (Apr. 2001)
zang=0.
xmon=0.
do i=1,1600
v(i)=1.
end do
fnamb=' Not used'
fnamn=fnamb
if(nortyp.eq.'V'.or.nortyp.eq.'v') go to 40
if(nortyp.eq.'N'.or.nortyp.eq.'n') go to 90
go to 500
c***** V Normalisation
c
40 read(nfname,*,err=49) nnum
if(nnum.lt.0) go to 500
c***** cancel any efficiency file
fnamn=fnamb
nnor=nnum
if(nnor.gt.0) go to 41
do i=1,1600
v(i)=1.
end do
nnor=0
go to 500
41 continue
ninum=num
c***** save current open numor
call ind20(ier,nnor,nomexp,ddate,text
1,dor,pmm,pdm,pdd,paq,sam,nsu,nsp)
if(ier.ne.0) go to 49
nget=1
call ind20s(nget,scn,idon,ier)
if(ier.ne.0) go to 49
sum=0
c***** avoid beamstop region...
do i=500,1300
sum=sum+idon(i)
end do
sum=sum/800.
dev=0
if(sum.eq.0) go to 49
do i=1,1600
if(i.gt.500.and.i.le.1300)dev=dev+(sum-idon(i))**2
v(i)=0.
if(idon(i).gt.0) v(i)=sum/idon(i)
c***** v will be used as a multiplier
end do
dev=sqrt(dev)/800.
call ind20x
c***** close file
go to 500
49 write(6,48)
48 format(' Error reading vanadium normalisation data')
nnor=0
call ind20x
go to 500
c
c***** N efficiency normalisation file
c
90 j=0
do i=1,50
j=i
if(nfile(i:i).ne.' ') go to 91
end do
92 write(6,93)
93 format(' No efficiency file will be used')
nnor=0
go to 500
91 call trimmd(nfile(j:50),lf)
fnamn=str1(j:lf+j)
open(8,file=nfile(j:lf+j),status='old',err=96)
read(8,94,err=96,end=96) titn
94 format(a)
write(6,95) titn
95 format(' Normalisation file : ',a)
c first contains angles, second multipliers
read(8,*,err=96,end=96) v
read(8,*,err=96,end=96) v
close(unit=8)
nnor=1
go to 500
96 write(6,97) str1(j:j+lf)
97 format(' Error reading efficiency file :',a//)
titn='Not used'
close(unit=8)
do i=1,1600
v(i)=1.
end do
500 continue
c
c***** Z set zero angle...
c
50 zang=zangg
go to 80
c
c***** Monitor renormalisation
c
80 xmon=0.
if(xxmon.gt.0) xmon=xxmon
c***** note: d20 counts only on time preset ('cos of strobe electronics)
c sometimes monitor is not written correctly
c normal option if xmon is 0 is to ignore monitor renormalisation
return
C***** continue to fit section
end
Data Reading routine
subroutine difinn(ier,ir,is,npnts,xobs,yobs,yrobs)
c***** reads in one spectrum... run ir, subspectrum is
parameter (maxdat=2100)
real xobs(maxdat),yobs(maxdat),yrobs(maxdat),yer(maxdat)
real bl(40)
integer idon(1600)
real dor(30),pmm(25),pdm(30),pdd(15),paq(55),sam(15)
real scn(35)
common /ind20p/dor,pmm,pdm,pdd,paq,sam,scn
common /ind20c/text
common /ind20u/nunit
common /ind20m/xm,xt
common /difitr/ num,nsp,nsu
common /difmon/xmon
common /difnor/ v(1600),nnor
common /difzer/ zang
COMMON/PROGCH/PNAMC
character txt*50,pnamc*4
character*10 nomexp
character*20 ddate
character*1 text(480)
npnts=0
ier=0
if(ir.ne.num) call ind20x
c***** close any preopened file
if(ir.ne.num) call ind20(ier,ir,nomexp,ddate,text
1,dor,pmm,pdm,pdd,paq,sam,nsu,nsp)
if(ier.eq.0) go to 2
write(6,1) ir
1 format(' Run ',i6,' not found ')
ier=-1
return
2 num=ir
c write(*,*) 'is,nsu,nsp',is,nsu,nsp
if(is.lt.nsp.or.is.ge.nsu+nsp) go to 8
call ind20s(is,scn,idon,ier)
if(ier.eq.0) go to 5
8 write(6,3) is,nsp,nsu
3 format
1(' Error reading subsp',i5,' Subsp start',i5,i5,' present')
ier=-1
return
5 continue
xang0=sam(5)-zang
c***** 30 deg out at present.....June '97
if(scn(15).ne.0) xang0=scn(15)-zang
c***** note: d20 counts only on time preset ('cos of strobe electronics)
c sometimes monitor is not written correctly
c normal option if xmon is 0 is to ignore monitor renormalisation
rat=1.
if(xmon.gt.0.and.xm.gt.0.) rat=xmon/xm
if(rat.gt.10..or.rat.lt.0.1) write(6,15) ir,is,rat,xm
15 format(' ? warning - run ',i6,' /',i3,
1' monitor ratio is ',f10.5,' stored value is ',g12.5)
do i=1,1600
xobs(i)=(i-1)*.1+xang0
yobs(i)=idon(i)
yrobs(i)=rat*sqrt(yobs(i))
yobs(i)=rat*yobs(i)
end do
ndin=1600
if(nnor.eq.0) go to 10
do i=1,1600
yobs(i)=yobs(i)*v(i)
yrobs(i)=yrobs(i)*v(i)
end do
10 npnts=1600
return
end
subroutine difin(npnts,xobs,yobs,yrobs,txt)
parameter (maxdat=2100)
common /ind20c/text
common/tinc/pname,ret80
real xobs(maxdat),yobs(maxdat),yrobs(maxdat),yer(maxdat)
common /difitr/ num,nsp,nsu
character pname*4,ret80*80,str1*80
character txt*50
character*1 text(480)
npnts=0
c***** used to show errors in reads
str1=ret80
2 format(a)
str1(60:80)='0 0 0 0 0 /'
read(str1,*) ir,is
if(ir.le.0) return
if(is.le.0) is=1
call difinn(ier,ir,is,nnpnts,xobs,yobs,yrobs)
if(ier.eq.0) go to 10
return
10 npnts=nnpnts
write(6,12) nsu,nsp
12 format(' There are ',i4,' subspectra present, starting at #',i4)
txt=' '
write(txt(1:15),15) ir,is
15 format('Run ',i6,'/',i3,':')
do i=1,35
j=15+i
txt(j:j)=text(i+20)
end do
return
end
Calculation routine
Note that the component curves are conserved in COMMON storage.
SUBROUTINE CALSKP(NP,P,NFIT,ANG,YUSE,YRUSE,YCALC,F)
C***** Calculates sum of four peaks for fitfun fit to diff data
C INPUT PARAMETERS
C P 1 Flat background
C P 2 slope
C P 3 spare
C P 4 Factor F weighting control
C P 5 PEAK TYPE (1=LOR,2=GAU,3=Voigt,4=Skewed Gaussian)
C P 6 PEAK HEIGHT
C P 7 PEAK WIDTH
C P 8 PEAK POSN
C p 9 PEAK MODIFIER (Gauss width for Voigt or
C skewness (Gauss_width_LHS/RHS ratio) for Skewed peak
C P 10 PEAK TYPE FOR 2ND COMPONENT... ETC...
C
C all widths are HWHM
C
C***** simplified example program derived from FIRR and TAPPIT
COMMON/EXTPC/YY(2100,5),YYIN(4),INPK
C***** Save calculated curves for additional treatment...
DIMENSION P(NP),ANG(NFIT),YUSE(NFIT),YRUSE(NFIT),YCALC(NFIT)
1,F(NFIT)
DIMENSION Y(2100)
C
C***** Calculate y - no resolution effects
C
ALN2=ALOG(2.0)
SLN2=SQRT(ALN2)
ASIG=SQRT(2*ALN2)
PI=3.141592
SPI=SQRT(PI)
YYIN(1)=0.
YYIN(2)=0.
YYIN(3)=0.
YYIN(4)=0.
DO 1000 I=1,NFIT
YY(I,1)=0.
YY(I,2)=0.
YY(I,3)=0.
YY(I,4)=0.
YY(I,5)=0.
YCALC(I)=0.
1000 CONTINUE
1 CONTINUE
INPK=0
DO 2 III=5,20,5
C***** FOR ANY PEAKS PRESENT
INPK=INPK+1
IF(P(III).EQ.0) GO TO 2
C***** NOT THIS ONE
YYIN(INPK)=1.
IH=III+1
C***** Area
IW=III+2
C***** Width
IP=III+3
C***** Position
IPMOD=III+4
C***** Modifier
J=P(III)
C***** peak type
IF(J.LT.1.OR.J.GT.4) GO TO 2
C***** Other types of peak not treated
GO TO (30,20,40,50) J
20 CONTINUE
C***** Lorentzian function
DO 21 I=1,NFIT
Y(I)=0.
ANGF=ANG(I)
FF=(ANGF-P(IP))**2
Y(I)=Y(I)+P(IH)*P(IW)/(FF+P(IW)**2)/PI
21 CONTINUE
GO TO 202
30 CONTINUE
C***** Gaussian function
DO 31 I=1,NFIT
Y(I)=0.
ANGF=ANG(I)
FF=(ANGF-P(IP))**2
Y(I)=Y(I)+P(IH)*EXP(-FF*ALN2/P(IW)**2)*SLN2/(SPI*P(IW))
31 CONTINUE
GO TO 202
40 CONTINUE
c***** Voigt
DO 41 I=1,NFIT
Y(I)=0.
ANGF=ANG(I)-P(IP)
SIGMA=P(IPMOD)/ASIG
c***** gaussian width component
XLOR=2.*P(IW)
c***** Lorenztian component full width as input
CALL VOIGT(ANGF,SIGMA,XLOR,YVAL,DERX,DERS,DERG)
Y(I)=P(IH)*YVAL
41 CONTINUE
GO TO 202
50 CONTINUE
C***** skewed Gaussians (2 curves LHS/RHS)
C***** Join centre is offset from CofG which is P(IP)
ALF=P(IPMOD)
XJOIN=P(IP)+0.5*P(IW)*(1.-ALF)/(SPI*SLN2)
widlhs=P(IW)*2./(1.+ALF)
widrhs=ALF*widlhs
c write(6,666) xjoin,p(ip),p(iw),p(ih),alf,widlhs,widrhs
c666 format(' xjoin ',f10.5,' cen/wid/area/a/l/r',6f10.5)
DO 51 I=1,NFIT
Y(I)=0
ANGF=ANG(I)
FF=(ANGF-XJOIN)**2
IF(ANGF.LT.XJOIN) Y(I)=+P(IH)*(2./(1.+alf))*SLN2
1 *EXP(-FF*ALN2/widlhs**2)/(SPI*widlhs)
IF(ANGF.GT.XJOIN) Y(I)=P(IH)*(alf*2./(1.+alf))*SLN2
1 *EXP(-FF*ALN2/widrhs**2)/(SPI*widrhs)
51 CONTINUE
GO TO 202
202 DO 204 I=1,NFIT
YY(I,INPK)=Y(I)
C***** Each component is saved for possible later use
204 CONTINUE
2 CONTINUE
c***** background is defined at centre of first peak
DO 170 I=1,NFIT
YY(I,5)=P(1)+P(2)*(ANG(I)-P(8))
C***** Flat background+slope
YCALC(I)=YY(I,1)+YY(I,2)+YY(I,3)+YY(I,4)+YY(I,5)
170 CONTINUE
DO 200 I=1,NFIT
FFFF=YUSE(I)-YCALC(I)
F(I)=FFFF
IF(P(4).EQ.0..and.YRUSE(I).NE.0.) F(I)=FFFF/YRUSE(I)
C***** Invoke weighting
200 CONTINUE
RETURN
END
C LEVEL 2 SUBROUTINE VOIGT(X,SIGMA,GAMMA,YVAL,DERX,DERS,DERG)
SUBROUTINE VOIGT(X,SIGMA,GAMMA,YVAL,DERX,DERS,DERG)
C
C *** VOIGT by WIFD Jun 84 ***
C
CC 9C
CH Calculates normalised Voigt function
C
CD... VOIGT is the normalised VOIGT function; a convolution of a
CD normalised Gaussian (half-width= sigma) and Lorentzian
CD (Cauchy) function (full-width at half-height= width). The
CD function is calculated by noting that the VOIGT function
CD is, to within a scale factor, equal to the real part of the
CD complex error function.
C W.I.F.David 6-JUN-84
C Neutron Division
C RAL ext. 5179
C
DOUBLE PRECISION WR,WI,XX,YY
C
OVRTPI=0.564189584
OVRT2=0.707106781
BTEM=OVRT2/SIGMA
ATEM=OVRTPI*BTEM
XTEM=X*BTEM
YTEM=0.5*GAMMA*BTEM
XX= DBLE(XTEM)
YY= DBLE(YTEM)
CALL WERF(WR,WI,XX,YY)
SWR=SNGL(WR)
SWI=SNGL(WI)
CTEM=ATEM*BTEM
YVAL=ATEM*SWR
DWRDX=-2.*(XTEM*SWR-YTEM*SWI)
DWRDY= 2.*(YTEM*SWR+XTEM*SWI-OVRTPI)
DERX=CTEM*DWRDX
DERS=-ATEM*(SWR+DWRDX*XTEM+DWRDY*YTEM)/SIGMA
DERG=0.5*CTEM*DWRDY
C
RETURN
END
C LEVEL 1 SUBROUTINE WERF(RS1,RS2,XX,YY)
SUBROUTINE WERF(RS1,RS2,XX,YY)
C
C *** WERF by WIFD 25 May 84 ***
C
CC 9C
CH Weighted error function ???
C
IMPLICIT DOUBLE PRECISION (A-H,O-Z)
DOUBLE PRECISION LAMBDA
LOGICAL B
C
X=DABS(XX)
Y=DABS(YY)
IF (Y .LT. 4.29 .AND. X .LT. 5.33) GO TO 1
H= 0.
NC= 0
NU= 8
LAMBDA= 0.
B= .TRUE.
GO TO 2
1 S=(1.0-Y/4.29)*DSQRT(1.0-X**2/28.41)
H=1.6*S
H2=2.0*H
NC=6+IDINT(23.0*S)
NU=9+IDINT(21.0*S)
LAMBDA=H2**NC
B=LAMBDA .EQ. 0.
2 R1=0.
R2=0.
S1=0.
S2=0.
N=NU+1
3 N=N-1
FN=N+1
T1=Y+H+FN*R1
T2=X-FN*R2
C=0.5/(T1**2+T2**2)
R1=C*T1
R2=C*T2
IF (H .LE. 0.0 .OR. N .GT. NC) GO TO 4
T1= LAMBDA+S1
S1=R1*T1-R2*S2
S2=R2*T1+R1*S2
LAMBDA=LAMBDA/H2
4 IF (N .GT. 0) GO TO 3
IF (B) GO TO 6
RS1=S1
RS2=S2
GO TO 7
6 RS1=R1
RS2=R2
7 RS1= 1.12837916709551*RS1
IF (Y .EQ. 0.0) RS1= DEXP(-X**2)
RS2= 1.12837916709551*RS2
IF (XX .LT. 0) RS2= -RS2
RETURN
END
Output from fitting sequences - table for spreadsheets
subroutine ftsqop
parameter (maxpar=40)
parameter (maxpat=4000)
COMMON/SSOUTCC/LOUT
COMMON/SSOUTCH/FNAM
COMMON/SSUSED/KEEP
CHARACTER*11 FNAM
common/seqtxt/text
common /found/ tab(maxpat,maxpar),etab(maxpat,maxpar),
1idxx(maxpat,3),nseq
real parm(maxpar),sdev(maxpar)
real back(4),backerr(4),ratio(4),raterr(4)
character*50 text
write(6,106)
write(16,106)
C**** This format is changed to give similiar output to fd21
106 format(' run ext Backgr % Area % Width %',
1' Position % B-Slope B-Con. fit ')
do 900 k=1,nseq
do n=1,maxpar
parm(n)=tab(k,n)
sdev(n)=etab(k,n)
end do
ir=idxx(k,1)
is=idxx(k,2)
ifited=idxx(k,3)
jjjj = 0
do i=5,20,5
jjjj = jjjj + 1
back(jjjj) = 0.0
backerr(jjjj) = 0.0
ratio(jjjj) = 0.0
raterr(jjjj) = 0.0
if(parm(i).gt.0) then
C***** Try to output bgd at centre of each peak as first data column
back(jjjj) = parm(1) + parm(2)*(parm(i+3)-parm(8))
C***** Let's try to combine errors for the background
bslop = parm(2) * parm(i+3)
err1sq = (sdev(1) * parm(1) / 100.0)**2
err2sq = (sdev(2)**2 + sdev(i+3)**2)
1 * bslop*bslop/10000.0
backerr(jjjj) = sqrt(err1sq+err2sq) * 100.0 / abs(back(jjjj))
write(16,20) ir,is,back(jjjj),backerr(jjjj),
1 parm(i+1),sdev(i+1),
1 parm(i+2),sdev(i+2),parm(i+3),sdev(i+3),
1 parm(2),parm(1),ifited
c***** run.ext.back.back%.Area.are%.Width.Width%,Pos.Pos%.Bslo.Bcon.ft
write(6,20) ir,is,back(jjjj),backerr(jjjj),
1 parm(i+1),sdev(i+1),
1 parm(i+2),sdev(i+2),parm(i+3),sdev(i+3),
1 parm(2),parm(1),ifited
20 format(i7,i5,f10.1,f6.1,f10.1,f6.2,f7.3,f6.2,
1 f8.2,f6.2,f9.3,f9.1,i4)
If ( back(jjjj) .ne. 0. ) ratio(jjjj) = parm(i+1)/back(jjjj)
C**** This is an error in counts not per cent
raterr(jjjj) = sqrt(backerr(jjjj)*backerr(jjjj) + sdev(i+1)
1 *sdev(i+1) ) * ratio(jjjj)/100.
end if
end do
C**** putting the parameters out in a file with
C**** fixed format
WRITE(LOUT,201)ir,is,(parm(i),sdev(i),i=1,24),
1 (ratio(j),raterr(j),j=1,4)
201 FORMAT(I6,I4,48(2x,E12.4),8(2x,E12.4))
KEEP=1
900 continue
return
end
Additional output can be provided using the J command and the routine FTEXTP:
SUBROUTINE FTEXTP
C***** EXTERNAL SUBROUTINE TO PLOT Component RESULTS
PARAMETER(MMM=2100)
COMMON/PLTLIM/XMIN,XMAX,YMIN,YMAX,XSCALE(2),YSCALE(2)
COMMON/PLTLIC/NTX,NTY,NTEX
COMMON/FUNCTN/NPAR,PARM(20),STEP(20),SCALE(20)
COMMON/OBSDAT/NPNT,XUSE(MMM),YUSE(MMM),YUSR(MMM)
COMMON/CALDAT/YCALC(MMM),F(MMM),IITER
COMMON/REDITC/XOBS(MMM),YOBS(MMM),YROBS(MMM),YER(MMM),NDIN
COMMON/INDIFC/FNAME
COMMON/TITLES/NAMES(20),TX,TY
COMMON/CHICHI/RF,RFOLD,CHI,CHIOLD,PROB,NFREE,NFITNO
COMMON/TITLEX/EXTRAT
COMMON/EXTPC/YY(MMM,5),YYIN(4),INPK
COMMON/TINC/PNAM,ret80
c***** other commons with useful data are
COMMON/EXTPLT/XPL(200),YPL(200),WERR(200),WRK(200),WK1(200),NEXTRA
COMMON/FITLIM/XLIMS(6),NSET,MINF,MAXF,NFIT
c***** which have the x range limits "O", and extrapolated values
CHARACTER*8 NAMES
CHARACTER*20 TX,TY
CHARACTER*20 FNAME
CHARACTER NTX*20,NTY*20,NTEX*50,NTDUM*50,EXTRAT*50
CHARACTER*1 ANS
CHARACTER PNAM*4,ret80*80
CHARACTER*100 PLTXT(4),BTXT
CHARACTER*4 PTYP(4),ACTTYP
CHARACTER*6 COLS(4)
INTEGER MAPCOL(4)
REAL YLOC(MMM),FLOC(MMM),YDIF(MMM)
DATA MAPCOL/2,3,4,6/
DATA PTYP/'GAUS','LOR_','Voig','SkwG'/
DATA COLS/'red ','green ','blue ','pink '/
PLTXT(1)=' '
PLTXT(2)=' '
PLTXT(3)=' '
PLTXT(4)=' '
BTXT=' '
NTDUM=' '
C***** perform calculation for all points once again
CALL CALSKP(NPAR,PARM,NDIN,XOBS,YOBS,YROBS,YCALC,F)
OFFSET=0.8*(YSCALE(2)-YSCALE(1))+YSCALE(1)
C***** Difference
DO 6000 I=1,NDIN
YDIF(I)=OFFSET+YCALC(I)-YOBS(I)
YY(I,1)=YY(I,1)+YY(I,5)
YY(I,2)=YY(I,2)+YY(I,5)
YY(I,3)=YY(I,3)+YY(I,5)
YY(I,4)=YY(I,4)+YY(I,5)
C***** PLot components on top of notional background
6000 CONTINUE
C***** Load up titles
LIN=0
IPARAT=5
DO 7000 I=1,4
IF(YYIN(I).EQ.0.) GO TO 7000
C***** Component absent
LIN=LIN+1
ITYPX=PARM(IPARAT)
ACTTYP=' '
IF(ITYPX.GT.0.AND.ITYPX.LE.4) ACTTYP=PTYP(ITYPX)
WRITE(PLTXT(LIN),7001) ACTTYP,
1NAMES(IPARAT+1),PARM(IPARAT+1),
1NAMES(IPARAT+2),PARM(IPARAT+2),
1NAMES(IPARAT+3),PARM(IPARAT+3),
1NAMES(IPARAT+4),PARM(IPARAT+4),COLS(I)
7001 FORMAT(A4,4(1X,A8,F10.5),2X,A6)
IPARAT=IPARAT+5
7000 CONTINUE
IF(CHI.NE.0.) WRITE(BTXT,7010)NFITNO,CHI
7010 FORMAT(' FIT #',I3,40X,'CHISQUARED ',F8.2)
C***** Graph out
C***** Frame and text
IER=0
CALL RSPLT(XSCALE,YSCALE,YSCALE,2,0,IER,NTDUM,NTY,NTDUM)
C***** Data points
CALL RSPLT(XOBS,YOBS,YROBS,NDIN,-2,IER,NTX,NTY,NTEX)
C***** Fit
CALL RSPLT(XOBS,YCALC,YCALC,NDIN,-100,IER,NTX,NTY,NTEX)
C***** Difference
CALL RSPLT(XOBS,YDIF,YDIF,NDIN,-100,IER,NTX,NTY,NTEX)
C***** First component red
CALL PGQCI(IOLD)
C***** Save initial colours
DO 7500 I=1,4
IF(YYIN(I).EQ.0.) GO TO 7500
CALL PGSCI(MAPCOL(I))
IF(YYIN(1).NE.0)
1CALL RSPLT(XOBS,YY(1,I),YY(1,I),NDIN,-100,
1IER,NTX,NTY,NTEX)
7500 CONTINUE
CALL PGSCI(IOLD)
C***** Background
CALL RSPLT(XOBS,YY(1,3),YY(1,3)
1,NDIN,-200,IER,NTX,NTY,NTEX)
c***** titles
CALL PGMTXT('T',7.,-.1,0.,NTEX)
CALL PGMTXT('T',5.,-.1,0.,PLTXT(1))
CALL PGMTXT('T',4.,-.1,0.,PLTXT(2))
CALL PGMTXT('T',3.,-.1,0.,PLTXT(3))
CALL PGMTXT('T',2.,-.1,0.,PLTXT(4))
CALL PGMTXT('B',3.5,-.1,0.,EXTRAT)
CALL PGMTXT('B',2.5,0.0,0.5,NTX)
CALL PGMTXT('T',.75,0.5,0.5,BTXT)
CALL PGSCI(IOLD)
ANS=ret80(1:1)
c***** J command: user requires hardcopy "J H"
ret80(80:80)='/'
read(ret80,*) ans
IF(ANS.EQ.'H'.OR.ANS.EQ.'h') GO TO 303
RETURN
303 CONTINUE
CALL PGNSEL(2,LAST,IER)
C***** Graph out
C***** FRAME AND TEXT
IER=0
CALL RSPLT(XSCALE,YSCALE,YSCALE,2,0,IER,NTDUM,NTY,NTDUM)
C***** Data points
CALL RSPLT(XOBS,YOBS,YROBS,NDIN,-2,IER,NTX,NTY,NTEX)
C***** Fit
CALL RSPLT(XOBS,YCALC,YCALC,NDIN,-100,IER,NTX,NTY,NTEX)
C***** Difference
CALL RSPLT(XOBS,YDIF,YDIF,NDIN,-100,IER,NTX,NTY,NTEX)
CALL PGQCI(IOLD)
DO 7600 I=1,4
IF(YYIN(I).EQ.0.) GO TO 7600
CALL PGSCI(MAPCOL(I))
IF(YYIN(1).NE.0)
1CALL RSPLT(XOBS,YY(1,I),YY(1,I),NDIN,-100,
1IER,NTX,NTY,NTEX)
7600 CONTINUE
CALL PGSCI(IOLD)
C***** Background
CALL RSPLT(XOBS,YY(1,3),YY(1,3)
1,NDIN,-200,IER,NTX,NTY,NTEX)
C***** Titles
CALL PGMTXT('T',7.,-.1,0.,NTEX)
CALL PGMTXT('T',5.,-.1,0.,PLTXT(1))
CALL PGMTXT('T',4.,-.1,0.,PLTXT(2))
CALL PGMTXT('T',3.,-.1,0.,PLTXT(3))
CALL PGMTXT('T',2.,-.1,0.,PLTXT(4))
CALL PGMTXT('B',3.5,-.1,0.,EXTRAT)
CALL PGMTXT('B',2.5,0.5,0.5,NTX)
CALL PGMTXT('T',.75,0.5,0.5,BTXT)
CALL PGNSEL(LAST,LLAST,IER)
RETURN
END
The configuration f24s.fcl file contains:
vers|1.0
prog|d:/2006/newf/f24s.exe
prpt|f24s
prld|wntle|f24s-prelude
prld|title|Data Normalisation and instrument parameters
prld|Normalisation type : V (vanadium run) N (eff. file) or empty (none)
prld|Give a filename|text|eff.eff
prld|Renormalise Monitor - monitor value |float|0.0|0.0
prld|New zero offset angle |float|0.0|0.0
prld|help|f24s.fcl
rcmd|wntle|Reading new data
rcmd|title|Reading ascii input D20 ASCII raw data
rcmd|Run number|float|564323|0|999999|
rcmd|Sub-spectrum number|float|1|1|99999
hcmd|wntle|f24s
hcmd|title|f24s fitting D20 data-
hcmd|Helpfile name |filer|d:/2006/newf/f24s.hhh
jcmd|wntle|component plots
jcmd|title|Superpose peak plots
jcmd|For PostScript hardcopy type H|text|
The help file f24s.hhh is simply a text file:
Fits up to 4 peaks in sequences of D20 datasets
Manual peak fitting and parameter initialisation
Peak type :
1 Single Gaussian
2 Single Lorenztian
3 Voigt - Lorenztian width shown
4 Skewed Gaussian
Modifier parameter for Voigt is Gaussian width
Modifier parameter for Skewed Gaussian is LHS-width/RHS
Width values are half width at half height
Background is value at centre of first peak
Library Components
The graphics library routines beginning with the letters PG are described in the PGPLOT library page . RSPLT in the fitfun library is identical to that in the librlib.a library.
When building and testing the program it is greatly advantageous to use the simple terminal mode of the program to monitor the results. This terminal output is actually retained in the clickfit version as a log file which can be viewed from the view/log menu.
The script for the test session follows:
D:\2006\NewF>f24s
f24s - version 4.0 June 2007 (R.E. Ghosh, ILL)
Fits up to 4 peaks in sequences of D20 datasets
Initial options to read and normalise subspectrum:
C Continue now to data fitting
V n Set vanadium run n
N name Set efficiency file name
M m Monitor renormalisation (o=none)
Z a modify zero angle (0.0)
L i j List run i subspectrum j
H Help
No vanadium normalisation run
Zero angle : 0.000
Efficiency file name Not used
New monitor value : 0.0
Type option C,V,Z,M,N,L,D,HELP : c
Fits up to 4 peaks in sequences of D20 datasets
Manual peak fitting and parameter initialisation
Peak type :
1 Single Gaussian
2 Single Lorenztian
3 Voigt - Lorenztian width shown
4 Skewed Gaussian
Modifier parameter for Voigt is Gaussian width
Modifier parameter for Skewed Gaussian is LHS-width/RHS
Width values are half width at half height
Background is value at centre of first peak
f24s version 4.0
TYPE HELP OR OPTION: H,R,D,X,Y,V,F,O,P,L,W,C,E,J,S,T,M,G,Z
f24s>564323 1
COMMAND NOT KNOWN - TYPE H FOR HELP
Please do manual fit of one spectrum to set parameters
TYPE HELP OR OPTION: H,R,D,X,Y,V,F,O,P,L,W,C,E,J,S,T,M,G,Z
f24s>r 564323 1
There are 283 subspectra present, starting at # 1
1600 data have been read in
THERE ARE 40 DATA POINTS IN CURRENT FITTING RANGE
TYPE HELP OR OPTION: H,R,D,X,Y,V,F,O,P,L,W,C,E,J,S,T,M,G,Z
f24s>f
TYPE HELP OR OPTION: H,R,D,X,Y,V,F,O,P,L,W,C,E,J,S,T,M,G,Z
f24s>v 8 .3 1
TYPE HELP OR OPTION: H,R,D,X,Y,V,F,O,P,L,W,C,E,J,S,T,M,G,Z
f24s>f 20
FITTING.....
.....ENDED
TYPE HELP OR OPTION: H,R,D,X,Y,V,F,O,P,L,W,C,E,J,S,T,M,G,Z
f24s>v
FITFUN 7.0 TITLE:Run 564323/ 1:VanaChieux 10mm 1.87AA
FITTING Y : Counts VERSUS X : Two_Theta
NUMBER PARAMETER VALUE ( OLD VALUE ) STEP % DEVIATION
1 FLAT BGD 53.98 ( 46.35 ) 1.000 8.62
2 slope BG 0.000 ( 0.000 ) 0.000 0.00
3 (spare) 0.000 ( 0.000 ) 0.000 0.00
4 FACTOR F 0.000 ( 0.000 ) 0.000 0.00
5 P1 type 1.000 ( 1.000 ) 0.000 0.00
6 P1 area 591.6 ( 619.7 ) 1.000 2.92
7 P1 width 0.7130 ( 0.7389 ) 1.000 2.62
8 P1 posn 0.7606E-01( 0.3000 ) 1.000 3.96
9 P1 modif 0.000 ( 0.000 ) 0.000 0.00
10 P2 type 0.000 ( 0.000 ) 0.000 0.00
:
22 P4 width 0.000 ( 0.000 ) 0.000 0.00
23 P4 posn 0.000 ( 0.000 ) 0.000 0.00
24 P4 modif 0.000 ( 0.000 ) 0.000 0.00
100 MAXIMUM STEP 100.0 300 SUBSTEP 0.01000
200 ACCURACY 0.1000E-01
THERE ARE 40 POINTS IN THE CURRENT RANGE SET BY "ONLY" COMMAND.
CURRENT LIMITS (IF RANGE IS NON-ZERO) ARE :
-2.00 TO 2.00 0.00 TO 0.00 0.00 TO 0.00
TYPE HELP OR OPTION: H,R,D,X,Y,V,F,O,P,L,W,C,E,J,S,T,M,G,Z
f24s>e
%PGPLOT, Closing file f24s006.ps
D:\2006\NewF>
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