The main capabilities of the WinPLOTR software are the following:

• several data file formats
• choice of the X-space: 2theta (deg.), Q(Å-1), d(Å), sinTheta/l
• graphic options: cursor, zoom, shifts
• select and save selected points (background file)
• FullProf files (.PRF): (hkl) informations, (hkl) listing
• calculation: summation, difference curve, centroid, profile fitting
• links to external softwares (ex: FullProf)
• Edit PCR FullProf input files
• Save pattern plots as WPL files
• help
• PostScript, HPGL files
• easy use of WinPLOTR with the mouse

HOW TO INSTALL WinPLOTR on YOUR PC?

• create a directory on your hard disk ('c:\WinPLOTR' for example)
• copy WinPLOTR.exe' in the 'c:\WinPLOTR' directory
• copy the WinPLOTR.set' file in the 'c:\WinPLOTR' directory.
• create a 'WinPLOTR' environment variable in the 'autoexec.bat' file
  example: set Winplotr = c:\winplotr
  restart Windows to take into account this change in the 'autoexec.bat' file.

Remarks:

• the last version of WinPLOTR is available in the ftp area of the Bali server of the LLB in the '\ftp\pub\divers\WinPLOTR' directory.
• ftp address : 132.166.17.100
• login : anonymous
• password : anonymous

  rk: transfer the files in binary mode (not ascii mode)!

• WinPLOTR is also available via the Web: www-llb.cea/winplotr/winplotr.htm

WinPLOTR.set file

The arrays dimensions (max. number of patterns, max. number of data points) as well as the data directory or patterns color, markers, grid ... can be defined by the user in the 'WinPLOTR.set' file. This settings file is stored in the current directory or in a directory defined by the 'WINPLOTR' environment variable in the 'autoexec.bat' by the following command:
example: set WINPLOTR = c:\winplotr
When WinPLOTR is executed, it will look for the 'WinPLOTR.set' file, first in the current directory, and then in the directory defined by the environment variable.
If this 'WinPLOTR.set' file doesn't exist, the following dimensions will be used by default:

Max_Patterns = 15 ! number of patterns
Max_Points = 15000 ! number of points

THE DATA FILES FORMAT:

(remark: INSTRM corresponds to item used by FullProf in the '.pcr' file.)


For all the following formats, WinPLOTR read but doesn't take into account the first lines with "#" or "!" as first character. This can help the user to transform your data files compatible with one of the following WinPLOTR format.

    - line 1*  : text
    - line 1_1 : separator (-------------------)
    - lines l  : column 1: 2Theta(deg.) position
                 column 2: counting
                 column 3: sigma
       rk: if the third column doesn't exist, the sigma of the countings are
           calculated as SQR(counting)

    - line 1  : 2Theta_min(deg.)   step(deg.)    2Theta_max(deg.)    +  comments
    - lines l : counting

       rk: sigmas(n) = SQR(counting(n))  

    - line 1  : 2Theta_min(deg.)   step(deg.)    2Theta_max(deg.)    +  comments
    - lines l : n pairs (number_of_counters, counting)
                n = (2Theta_max - 2Theta_min) / step + 1
       rk: sigmas(n) = SQR(counting(n) / number_of_detectors)  

    - line 1: nset
    - line 2: date time text
    - line 3: nset1 files numors
    - line 4: par par 2Theta_Min(deg.) par par par par par step(deg.)
    - line 5: n
    - lines l: n pairs (number_of_detectors, counting) format=10(i2,f8.0)
       rk: sigmas(n) = SQR(counting(n) / number_of_detectors(n))

    - line 1-3: text
    - line 4  : n, param, param, ivari, monitor1, monitor2
    - line 5  : 2Theta_min(deg.)   step(deg.)     2Theta_max(deg.)
    - lines l : n countings ( n = [2Theta_max - 2Theta_min]/pas + 1)
       rk: if (ivari /=0) then
            following lines: n sigmas
           else
            if (monitor1 > 1. and monitor2 > 1) then
             cnorm = (monitor1 / monitor2)**2
            else
             cnorm = 1
            end if
            sigmas(n) = SQR(counting(n) * cnorm)
           endif

    - line 1  : text
    - line 2  : a21 a22 step(deg) a23 a24 a25
    - line 3  : 2Theta_min(deg)
    - line 4  : Monitor1 Monitor2 Tsample Tregulation
    - lines l : n pairs (number_of_detectors, counting)
       rk: if (monitor2 < 1.) then
            cnorm = 1
            Monitor2 = Monitor1
           else
            cnorm = (Monitor1 / Monitor2)**2
           endif
           sigmas(n) = SQR(counting(n) * cnorm / number_of_detectors)

    - line 1: text
    - line 2: item 3 = number of points (n)
    - following lines: depending on item10 and item5
      -item10="STD" item5="CONST"
        . xmin=item6/div
        . pas =item7/div
        . read(10(i2,F6.0) iww(i),y(i) i=1,npts
          sigmas(i) = SQR(y(i) / iww(i)) i=1,npts
      -item10="ESD" item5="CONST"
        . xmin=item6/div
        . pas =item7/div
        . read(10F8.0) y(i),sigmas(i) i=1,npts
      -item10="ALT" item5="RALF"
        . xmin=item6/32
        . pas =item7/32
        . read(4(F8.0,F7.4,F5.4) x(i),y(i),sigmas(i) i=1,npts
           x(i)=x(i)/32       i=1,npts
           do i=1,npts-1
            div=x(i+1)-x(i)
            y(i)=  1000 *  y(i) / div
            sigmas(i) = 1000 * sigmas(i) / div
           end do
      -item10="ALT" item5="CONST"
        . xmin=item6
        . pas =item7
        . read(4(F8.0,F7.4,F5.4) x(i),y(i),sigmas(i) i=1,npts
           x(i)=x(i)/32       i=1,npts

          Rk: . time of flight data:      div = 1.
              . constant wavelength data: div = 100.

    - lines 1-7: text
    - n x  lines:
      . line 1: point number
                couting time
                angular positions of the counters banks (2theta in deg.)
                setting temperature and sample temperature
      . line 2: format 10I8: counting of the 10 detectors of bank 1
      . line 3: format 10I8: counting of the 10 detectors of bank 2
           ...
      . line 8: format 10I8: counting of the 10 detectors of bank 7

        rk: sigmas(n) = counting(n)

        rk: sigmas(n) = counting(n)

File menu	Plot menu	Options menu
Points selection menu	X space menu	Calculation menu
PRF options menu	Command menu	Text menu
Help menu

FILES menu

Open data file:	choice of the data file format access to the 'Windows directories dialog box' to select a data file plot on screen the loaded files
open buffer file:	access to the 'Windows directories dialog box' to select a buffer file, (.BUF) i.e. a file with a listing of data file (with the same format) to load and plot
open .WPL file:	access to the 'Windows directories dialog box' to select a buffer file, (.WPL) i.e. a template file
Select files:	Select, among the loaded files, the files to plot !! option not available if more than 20 loaded files !!
Select section:	Select a single section to plot !! option available only for HRMPD file !!
View file:	Write on a window the last loaded data file
Reset:	Clear all the arrays and reinitialize parameters
Save as .WPL file:	Access to the 'Windows directories dialog box' to select a template .WPL file name to save the current plot settings, as follows: . X_space data_type: Xspace= 1 (2theta/tof) data = 0: constant wavelength data 1: time of flight data . Main legend: . X legend: . Y legend: . Xmin Xmax: . Ymin Ymax: . X_shift Y_shift: . X_offset Y_offset: . X and Y graduations number: 0: automatic gradutions . Write text (X frad., Y grad., Yneg. grad., file_name): 0: no / 1: yes . Grid (X and Y): 0: no / 1: yes . Frame width [0.2-0.8]: . Hidden part: 0: no / 1:yes . Data directory: . ------------------------------------------------------------ . file_name format color marker_type marker_size style pen_width title
Save settings:	Save the current WinPLOTR settings in the 'WinPLOTR.set' file (in the WinPLOTR directory defined by the WinPLOTR environment variable or in the current directory): . number of loaded files . number of points per files . last visited directory . FullProf version . plot options: colors, markers, styles, pen_width . PRF plot options: colors, markers, styles . grid, number of graduations . frame width . text colors ...
Print setup:	Access to the 'Windows print setup dialog box' to select printer, orientation, margins...
Print:	Access to the 'Windows print dialog box' to print the graphic window
Save as PS file:	Create a PostScript file (only in black and white)
Save as HPGL file:	Create a Hewlett Packard Graphic Language (only in black and white)
Exit:	Exit WinPLOTR

return

PLOT menu

Focus:	Access to a dialog box to enter Xmin and Xmax for the plot: Ymin and Ymax are automatically scaled
Zoom:	Access to a dialog box to enter Xmin, Xmax, Ymin and Ymax for the plot
Shift:	access to a dialog box to enter x and Y shift values: first file is unchanged file 2 will be shifted by 'shift' versus the first file file n will be shifted by '(n-1)*shift' versus the first file
Offset:	access to a dialog box to enter x and Y offset values: X(i,j) => X(i,j) + offset_x Y(i,j) => Y(i,j) + offset_y
Hidden parts:	Plot or not the hidden parts
Frame width:	Enter a frame width value to control the rectangular aspect of the plot
Error bars:	Plot or not the error bars of the countings for the last loaded file !! not available with .PRF and .MPD files !! of the plot

return

OPTIONS menu

Graduations:	Access to a dialog box to enter the number of graduations on X and Y axes (zero values leads to number of graduations automatically determined by WinPLOTR)
Grid:	Access to a dialog box to select or not grids on X and Y axes for the plot
Colors:	- access to a dialog box to select same color for all patterns or one color per pattern - access to the 'Windows color dialog box' to select available color
Markers:	- access to a dialog box to select same marker for all patterns or one pattern per pattern - access to a dialog box to select a marker and the corresponding size
Style:	- access to a dialog box to select same style for all patterns or one style per pattern - access to a dialog box to select a style for the pattern: non-continuous line, continuous line, dashed line, dotted line or histogram
Pen width:	- access to a dialog box to select same style for all patterns or one pen width per pattern - access to a dialog box to select a pen width value [1-9]

return

POINTS SELECTION menu

Select background:	Select and plot, by clicking on the left mouse button, background points
Save background:	Access to the 'Windows directories dialog box' to select a file to save the previously selected background points
Select points:	Select and plot points, by clicking on the left mouse button,
Save selected points:	Access to the 'Windows directories dialog box' to select a file to save the previously selected points

return

X_SPACE menu

2Theta/T.O.F.:	Plot in the 2theta (deg.) space (constant wavelength data) or time of flight data
Q (Å-1):	Plot in the reciprocal Q space: Q = 4pi.sinTheta/l or Q = 2pi/d
d (Å):	Plot in the d(hkl) space
sinTheta/l (Å-1):	Plot in the reciprocal sintheta/l space: s = Q / 4pi

return

CALCULATION menu

Summation:	sum of Y's of files on screen + plot the result !! - number of files on screen has to be > 1. files must have identical X values and the same number of data.
Difference:	substraction of Y dat a of 2 files on screen + plot result on screen !! - number of files on screen has to be equal to 2 files must have identical X values and the same number of data.
Average:	Calculation of the average of Y data on screen !! - number of files on screen has to be > 1 files must have identical X values and the same number of data.
Multiply Y:	Access to a dialog box to select coefficient to multiply the Y's data
Centroid:	- determination of the maximum intensity position - calculation of the centroid of poins, corresponding intensity and estimated FWHM (gaussian profile case) - results in a window
Integration:	- select, with the left mouse button, the limits for the integration calculation - integration results are display in a window and stored in a file.INT !! - only 1 file on the screen
Profile fitting:	select, with the left mouse button: left and right background, intensity, position and Fwhm for any peak to fit (max=15) exit with the right mouse button access to a dialog box to change starting fitting parameters and select parameters to fit profile fitting procedure (XRFIt software) graphical results !! only 1 file on screen !!
Reload data file:	reload previous data file on screen !! only available after a profile fitting procedure !!

return

PRF OPTION menu

(hkl) list:	open a window and display the list of Bragg positions and indexation of Bragg reflections on screen (!! - available only for PRF files )
Zero difference:	Draw an horizontal line to represent Yobs - Ycalc = 0 (!! - available only for PRF files )
Reload PRF file:	Load the previous PRF file and plot it the same graphic options (plot range, colors...). This can be useful if FullProf is running in another window without exit WinPLOTR.

return

TEXT menu

Filename:	Display or not the filenames on screen
Legend text:	Access to a dialog box to enter X and Y legends and main title
Write graduations:	Access to a dialog box to select to write or not X and Y graduations
Write negative graduations:	Write or not the Y negative graduations
Main legend color:	Access to the 'Windows color dialog box 'to select a text color for the main title
X and Y legend color:	Access to the 'Windows color dialog box 'to select a text color for the X and Y legend
X graduations color:	Access to the 'Windows color dialog box 'to select a text color for the X graduations
Y graduations color:	Access to the 'Windows color dialog box 'to select a text color for the Y graduations

return

COMMANDS menu

DOS command:	- Access to a dialog box to enter a DOS command - Run the previous DOS command
RUN FullProf:	- If no PCR file has been edited before, access to the 'Windows directories dialog box' to select the PCR file name needed by FullProf - if necessary, access to the 'Windows directories dialog box' to select the data file name needed by FullProf - RUN the Rietveld-type FullProf program (If the version of FullProf to be run is not stored in the 'WinPLOTR.set' file, the 'FP_90' version will be used.
Edit PCR file:	- acess to the 'Windows directories dialog box' to select a PCR file to edit - load the PCR file into the editor (the text editor can be specified in the 'WinPLOTR.set' file via the 'Edit: ' item the line just after the 'FullProf: ' item; if not, the 'EDIT' DOS editor will be used - Unfortunately, you have to exit from the editor to run FullProf

return

HELP menu

User's guide:	- Display the 'WinPLOTR.ins' file in a window
What's new ?:	- Display the 'WinPLOTR.new' file in a window
Settings:	- Display the 'WinPLOTR.set' file in a window, or the main parameters and associated values used by WinPLOTR
Arrays memories:	Display the total allocated arrays memory
About:	E-mail and http addresses

return

USE OF THE MOUSE:

WinPLOTR allows the user to use the mouse to select menus, to answer to dialog boxes, to resize and move windows, to scroll ...


When a pattern plot is displayed in the graphic window, drag operation (pressing, move and release) with the left mouse button is available to zoom the pattern plot. Click with the right mouse button redisplays all the data points of the pattern. In any case, move the mouse inside the graphic windows gives you informations (in the status bar) about the X and Y positions, in physical units.

Moreover, different kinds of operations can also be realized with the mouse, depending on menu selections:

• Select background:
  • left button click: select the current position of the mouse as a background point. This point is then displayed on the pattern window.
  • right button click: exit from the background mouse handling procedure

• Select points:
  • left button click: select the current position of the mouse as a selected point. This point is then displayed on the pattern window.
  • right button click: exit from the select point mouse handling procedure

• Integration:
  • first left button click: select the current position of the mouse as the left background. This point is then displayed on the pattern window.
  • second left button click: select the current position of the mouse as the right background. This point is then displayed on the pattern window.
  • right button click: exit from the select point mouse handling procedure

• Profile fitting:
  • first left button click: select the current position of the mouse as the left background. This point is then displayed on the pattern window.
  • second left button click: select the current position of the mouse as the right background. This point is then displayed on the pattern window.
  • any of the following left button clicks lead to select intensity and full width at half maximum respectively, for any peak you want to fit.
  • right button click: exit and run the fitting procedure

• Plot of PRF files:
  • Click with the left mouse button on a Bragg reflexion positions (vertical tics) displays in a window the corresponding informations about this (hkl) reflexion (indexation, Bragg position, phase, propagation vector ...)

Some Neutron Powder Diffractometers:

3T2:	high resolution powder diffractometer (LLB / Ge (335): l=1.227Å)
G42:	multicounters powder diffractometer (LLB / Ge (hhl): l=2.12; 2.38; 3.13; 5.99 Å)
G41:	PSD (800) powder diffractometer (LLB / Graphite (002): l=2.426 Å)
G61:	PSD (400) powder diffractometer (LLB / Graphite (002): l=4.76 Å)
D1A:	high resolution powder diffractometer (ILL)
D2B:	high resolution powder diffractometer (ILL)
DMC:	high resolution powder diffractometer (Wurenlingen, PSI)
HRPD:	high resolution time of flight powder diffractometer (ISIS)

Please, address your remarks to:

WinPLOTR

last updated: LLB april 98