WinPLOTR news

October 2023

• Routine of reading .UXD les has been modied to be in total agreement with FullProf and
WinPLOTR-2006 ones : starting point 2Theta_min value of the diraction pattern is then
detected through _2THETA= or _START= items.
In case of .UXD les created by PowDLL, it can be generate error in 2Theta_min value if
_2THETA and _START= values are dierent.

June 2023

• New routine of histogram display implemented in april 2023 has been named as "histogram
2" in the "Options / Style" dialog box. Old histogram display is still named as "histogram".
• "Calculation / derivative" has been reactived : for clearness, data of rst derivative curve
has been multiplied by Y_max/Yderivative_max.

April 2023

• Histogram display is now compatible with shifts and osets plot options.

January 2023

• Correction of bug in reading .ipc microstructural le

December 2022

• Correction of bugs :
 New wavelength input through X space / Enter wavelengh menu option is now correctly
taking into account in the status bar display.
 Colors changes for data les loaded after plotting a PRF le
• WinPLOTR has been compiled with the latest version of CRYSFML, allowing to get informa-
tions about trigonal space groups in a rhomboedral description (ex : R -3 C:R)

June 2022

• New skip_header_lines item in the [OPTIONS] section of the winplotr.ini setting le
allows to dene the number of header lines to skip when reading a powder diraction data le.

1
February 2021

• File / select les dialog box is now limited to a maximum of 100 patterns, even if Max_Patterns
value, dened in the winplotr.set setting le, is larger. Routine to create the select le dialog
box has been slightly modied to avoid (denitively ?) WinPLOTR crach (RealWin bug ?).

November 2020

• Minor changes in the reading of .PGF les containing several patterns with the "# DATA: X
Y COMMENT" format. This allows to obtain comment for every point of all the patterns when
clicking on a particular point.

October 2020

• Lines containing * character as rst character in the data le header are considered as comment
lines, as well as for ! or # characters. This allows to read and plot .dat or .xy data les coming
from Rigaku diractometers. Please use "1. X,Y data + INSTRM =10" data le format.

June 2020

• File/Open File/ XY data menu option can read .csv le containing comma separated values
(X,Y) without any header (coming from ICSD for example).

May 2020

• Cosmetic changes in the treatment of excluded regions for Rietveld type les (FullProf, Jana,
Rietan, CIF)

April 2020

• Tools / hkl list generationis now creating a kind of Debye-Scherrer lm with same intensities
Bragg peaks. The format of this pattern is a .PGF le with "data_type=3" and "DATA: X
COMM" identiers.
• New PRF_header item in the [OPTIONS] section of the winplotr.ini setting le : allows
reading .PRF le created by CRYSCALC and containing a le header with prole parameters
and structural informations (PRF_header = 1 in the [PATTERN SIMULATION] section of the
CRYSCALC.ini setting le).

March 2020

• WinPLOTR web site moved from http://www.cdifx.univ-rennes1.fr/winplotr

to https://cdifx.univ-rennes1.fr/winplotr

December 2019

• Tools / Molecular weight calculation can manage real values for stoechiometry (thanks to JGP
for the suggestion). Chemical formula can also be input (ie. La1 Mn1 O3).

2 WinPLOTR news - T. Roisnel

 • New Plot / Cancel shifts/osets menu option : allows to cancel the eects on data of successive
shifts and osets.

April 2019

• WinPLOTR can now read .XRDML les created by new version of DataCollector V6.1 (<intensities
unit="counts"> </intensities> tags has been changed to
<counts unit="counts"></counts> tags).

November 2018

• File / save data as / save data as multicolumns le : If several les has been read, corresponding
sigmas can be saved in multicolumns le only if sigma_arrays = Y in the [OPTIONS] section
of the setting le.
• RIETAN2000/IGOR format : sigmas are now reading in the le and corresponding extension
can be dierent than .INT.

October 2018

• File / save data as / save UXD-XRDML as single scans : if temperature is contained in the
raw multiscan le, the created buer le is directly compatible with the external temperature
le used by FullProf in sequential mode.

September 2018

• File/Open a setting le routine has been corrected. User can now select particular setting le
name with dierent settings (winplotr.set setting le present in the WinPLOTR folder was
always used).

July 2018

• New Rietveld plot options / plot tics out of X range menu option : acts as a switch, plotting
or not vertical tics (Bragg positions) appearing out of X range. This can be usefull in order
to avoid displaying tics of Bragg peaks appearing at angles values higher than the last angular
point of the measured pattern but contributing to the counting at this angular point and then
present in the reections list.
• Rietved/prole les (XRFIT, Rietan, CIF ...) can be plotted in dierent scales (Log, SQRT ...)
• A new routine to calculate dierence curve and reections tics positions has been implemented.

June 2018

• .PRF les created by JANA2006 can be plotted in log scale.

3 WinPLOTR news - T. Roisnel

March 2018

• When WinPLOTR is launched in command line and using a buer le as argument, the data
le format can be deduced from the extension of the rst le in the buer. In case of identical
extension for dierent formats (ex : .dat), the associated format can be specied in the MY
COMMAND LINE DEFAULT FORMATS section of the winplotr.set setting le.

July 2017

• In case of zoom, normalization procedure is now performed towards the maximum of countings
in the zoomed range and not the whole pattern..

February 2017

• The script to be ran by FullProf is correctly created in the particular case of sequential
mode renement of multi-patterns (write multi-pattern as "data le code" item in the FP-
CYC/WinPLOTR dialog box).

September 2016

• Plot / Oset X,Y / for a particular le routine has been corrected (oset values were not
initialized)

May 2016

 
• PRF+/PRF-
 
buttons were corrupted
• search satellites from .PRF : presence of excluded regions is now considered
• save as .sat le : check if le extension is given for created le
• Select les dialog boxes routine has been changed to avoid WinPLOTR crach (RealWin
bug ?). This new routine is applied for number of loaded patterns smaller than 25.
• Change graduations tex menu option has been reactived.

March 2016

• Changes in the routine of reading .dis les created by FullProf

October 2015

• Header of output les created by WinPLOTR (.XY, .XYY, INSTRM_0.dat) contain values
of used wavelenghts.

September 2015

• Cursor position provides 2theta() and d(A) values if a single pattern of a PRF FullProf le is
present on screen and plotted in 2theta space.

4 WinPLOTR news - T. Roisnel

August 2015

• Data coming from .UXD (Bruker) and .XRDML (Panalytical) can be plotted in coutings per sec.
This can be specied through the data_cps=Y/N keyword in the [OPTIONS] section of the
WinPLOTR.set setting le. If not, a dialog box opens.
• Correction of bug in the reading of .XYY les created by WinPLOTR.

June 2015

• The extension of the WinPLOTR command le can be specied in the setting le trough the
command_file_extension= keyword in the [OPTIONS] section :
command_file_extension = .cfe ! winplotr command file extension
Default value for this command le extension is .cmd

March 2015


• A REDO
button has been added in the toolbar, allowing to execute in the same conditions
the previous program launched from WinPLOTR. This can be useful for example to launch
FullProf with the same arguments as the previous FullProf run.
• Default of lenames number to write can be dened in the [OPTIONS] section of the setting
le and the following line :
max_write_filenames = 15
• Graphic options (color, marker, style) and X/Y multipliers can now been dened for an individual
data le
• New Text/Display lenames in a window menu option (not yet xed)
• Correction in reading new *_dis.SEQ les created by FullProf

February 2015

• Number of linked external programs with the "@" character that can be launched from the
toolbar has been extended from 3 to 5.
• Minor changes in the code of "exit" procedure.
• Rietveld plot options are activated for RIETAN2000 .PRF le

June 2014

• New parameter in the [OPTIONS] section of the WinPLOTR.set setting le, allowing to select
Y scale for the plot :
Y_scale = LINEAR/LOG/SQRT/YQ2
Default value = LINEAR

April 2014

• Noisy data item has been added in the peak search and background points search procedures
dialog boxes

5 WinPLOTR news - T. Roisnel

March 2014

• Points selection / Automatic satellites search menu option has been implemented. This option
is available only after plotting a PRF le and allows to perform peak search on the dierence
curve. Results can then be saved for K_search program to search propagation vector compo-
nents of a magnetic phase.

February 2014

• After a les summation, dierence or average, the resulting le can be saved with corresponding
esd's. Of course, sigma_arrays item has to be equal to 1 (or Y) in the winplotr.set settting
le.

November 2013

• New sections in the WinPLOTR.set le :

 [3D PLOT OPTIONS] (used to customize automatic pseudo-3D plots)
3D_color = RGB(255, 0, 255)
3D_style = 0
3D_marker = 1
3D_size = 2
3D_pen_width = 1
3D_lines_step = 0

 [SCREEN RESOLUTION] (used for creation of BMP output graphic les)

screen_width=1200
screen_height=800

• New tool in Tools menu : Remove blank lines in a le allows to remove all empty lines in a
selected le.
• save esd's item has been added in Save data / save data as XY le dialog box

October 2013

• A bug in reading .PRF les created by Jana2006 has been corrected

• External programs can be launched directly from the toolbar (max. = 3) : these programs have
to be specied in the [RUN PROGRAMS] section of the winplotr.set settting le through the
'@' character before the identier of the program.
ex: @ MENDEL = mendel ! My period table ! Windows version
• WinPLOTR can handle .PRF les created by CALC_PDF : The observed and calculated PDF
are represented as well as the dierence curve. Tick marks correspond to atom pairs distances
that can be directly inspected.
• New item in the sequential renement dialog box : temperatures le can be specied see
fp2k.inf (25 sept. 2013) for more details

6 WinPLOTR news - T. Roisnel

Septembre 2013

• Bugs have been corrected :

 Dierent columns for dierent multicolumns les (WinPLOTR format #1)can not be
mixed.
 Calculation / Multiply
 X-Y and Plot / Oset X-Y menu option procedures are now
corrected after CANCEL
handling
 Wavelength is correctly read in XRDML Panalytical format les

July 2013

• Implementation (in CRYSFML) of a new treatment for asymmetry parameters due to axial
divergency (Finger et al. JAC 27, 892, 1992)
• Buer le can contain the title of the plot in the rst line if begun by COMMENT or TITLE
command.
• New loaded data are still plotted in the current Y mode, even if it a non linear mode (log,
SQRT ...)
• New RAW data le format : multiscan XRDML (from PANanalytical) can now be read (WinPLOTR
format = 58). The Calculation / Multiscan normalisation can be applied to these data to create
a INSTRM10 data le for FullProf.

June 2013


• DOS
button is now opening a DOS window in the working folder

October 2012

• New keyword for WinPLOTR command le :

SUBTRACT file_1 file_2 format
 file_1 : name of rst le
 file_2 : name of second le (Y2 data will be substracted from Y1 data)
 format : common WinPLOTR format for file_1 and file_2

September 2012

• .spc les created by DIFFAX can now be read (format = 16). Only the broadened pattern
(column #3) is extracted from the data le.

July 2012

• Minor cosmetic changes in PostScript les

7 WinPLOTR news - T. Roisnel

June 2012

• Cosmetic parameters have been added for plotting .PRF les (Rietveld plot options menu) :
 tics positions : 2 parameters (t1 and t2) can be specied, relating to the position of the
tics for the phase #1 towards the base line, and the interval between tics of dierent
phases respectively. The following formula is used :
pos_tics_ph_n = MIN(Yobs,Ycal) - n*t2*(MAX(Yobs,Ycal)-MIN(Yobs,Ycal))/t1
with t2=1 for n=1. The default values for t1 and t2 are 20. and 1. respectively but they
can be dened in the setting le in the [SHIFT AND OFFSET] section with the help of
prf_tics = keyword
 Yobs-Ycalc dierence curve position :
pos_diff = MIN(Yobs,Ycal) - (MAX(Yobs,Ycal)-MIN(Yobs,Ycal))*K
with K = (1. + t3*Nb_phase)/5. t3 coecient can now be specied through the Tics
and di. curve positions menu option and default value (0.1875) in the setting le in the
[SHIFT AND OFFSET] section with the help of prf_diff_shift = keyword.
 colored tics : switch to use or not dierent colors for tics of dierent phases. The default
value of this colored_tics keyword is false but can be dened in the setting le through
the colored_tics= string in the [PRF PLOT OPTIONS] section.
 When points are displayed in excluded regions, those of the Yobs-Ycalc curve are not.
• Zero shifts in 2theta menu option has been added to input zero shifts value of a powder
diraction pattern (in the case of 2theta display). The whole zero shift is calculated as : ZERO
= z1 + z2*cos(Theta) + z3*sin(Theta)
and applied as :
new_X = X - ZERO

May 2012

• Single crystal .UXD scans can now be superimposed.

April 2012

• Bugs in Rietveld options (Zero dierence, excluded regions) has been corrected.

March 2012

• In the [AFTER FULLPROF RUN] section of the winplotr.set setting le, edpcr keyword can
replaced edit_pcr keyword : edpcr will then be automatically launched with the current .pcr
le.

February 2012

• DICVOL and TREOR input le created by WinPLOTR after a peak search procedure
contains informations about incident wavelength (wave_1, wave_2, wave_ratio). DICVOL
and TREOR have been modied consequently to create .pcr les containing these informa-
tions

8 WinPLOTR news - T. Roisnel

January 2012

• winplotr.set setting le ([OPTIONS] part) :

 locked_cursor = Y line (or 1) provides a new type of cursor. This new option, that is
activated if only one pattern is displayed, lockes the position of the cursor to the nearest
data point.
 follow_tfp_folder = Y line (or 1) allows WinPLOTR to recover the current working
directory of the FullProf toolbar if tfp.exe process is activ.

November 2011

• After launching FullProf in sequential mode, WinPLOTR is creating .SEQ les (xx_SEQ.dis
for distance calculations, xx_SEQ.hkl for prole matching renement, xx_SEQ.mic for micro-
structural analysis) for all phases present in the .PCR le.
• Plot microstructural features after a sequential run of FullProf is now active.

July 2011

• Some changes in the .PAT les created by RIETAN

January 2011

• WinPLOTR command le : PLOT keyword can have 2 optional arguments, delimiting the range
to be displayed
• winplotr.set setting le ([OPTIONS] part) :
 skip_exit_message = Y line (or 1) can be input to skip the dialog box "Do you really
want to quit WinPLOTR ? "
 pcr_history = Y line (or 1) can be input to create, when running FullProf , a codefile_PCR_history.l
le from the current PCR le

November 2010

• Exclude_CELL_from_title item has been added in the [PRF PLOT OPTIONS] of winplotr.set
setting le. Equal to 1, this item allows to exclude every character after CELL string from the
title of a .PRF le.

May 2010

• Prole tting of the X-ray Kα F e doublet has been added

• EDIT_PCR and EDIT_NEW items can be present simultaneously in the setting le
• Save winplotr.set was bugged for [PATTERNS PLOT OPTIONS] section

9 WinPLOTR news - T. Roisnel

April 2010

• Read PRF les created by Jana2006 (version April 2010) :

 Rietveld plot option menu is activated
 if PRF les are associated to Jana les in the winplotr.set setting le (see [COMMAND
LINEDEFAULT 
FORMATS]

section), the PRF
button can directly load Jana PRF les
and PRF+ and PRF-
buttons are activated.

March 2010

• Correction of bugs
 Calculation of intrinsic prole components for HG_sample negative values
 Cration of WHP le
 Plot of linear t

February 2010

• EXPO2009 can now be launched if dened in the setting le

• Tools / hkl list generation is creating a txt le that can be read further through the Text /
Open reexions le option
• Last point of .XY les was not considered. Now, it is !

September 2009

• WinPLOTR has been compiled with new versions of CFML (4.00)

June 2009

• small bugs have been corrected :

 read PANALYTICAL format containing end of lines character in the "<intensities unit="counts">"
section

May 2009

• small bugs have been corrected :

 Export as BMP and Postscript les

April 2009

• small bugs have been corrected :

 min and max values in the zoom dialog box after changing X space
 character strings length extended to 132 in the prole tting routine

10 WinPLOTR news - T. Roisnel

February 2009

• Save as DICVOL points dialog box : add a check box for DICVOL06 option and modify the
input le for DICVOL06
 OPTION = 0 : same as DICVOL04 (optimised search, to be used with normal quality data)
 OPTION = 1 : oers an extended (exhaustive) search (for dicult cases)
Compared to DICVOL04 (2004), only one additionnal input parameter is added in DICVOL06,
i.e. DV06_OPTION in card 5
• Read .PLG les created by the Rietveld program XND of J.F. Bérar. The WinPLOTR format
is 106. If a filename.HKL exists in the same folder than the .PLG le, hkl indices are displayed.
In the other case, background data will be plotted.

Jan. 09

• SINGLE_SINGLE_PEAK / FIT_SINGLE_DOUBLE keywords can have two arguments, correspon-

ding to the X range for prole tting procedure
• WinPLOTR from a command .CMD le can be launched through the WinPLOTR GUI (Tools
/ Run WinPLOTR command le menu option).
• INSTRM14 (ISIS) data les can now be superimposed.
• Help/FullProf news/FPS web site has been added to link to FullProf Suite news at the ILL
FullProf Suite web site.
• New keywords for WinPLOTR command le :
 SHIFT_X shift_X_value : shift X values by shift_X_value
 SHIFT_Y shift_Y_value : shift Y values by shift_Y_value
 OFFSET_X offset_X_value : oset X values by oset_X_value
 OFFSET_Y offset_Y_value : oset Y values by oset_Y_value
 MULTIPLY_X coef_X : multiply X values by coef_X value
 MULTIPLY_Y coef_Y : multiply Y values by coef_Y value
 PLOT : plot the open le
 BITMAP : create a bitmap le (not compatible with PLOT keyword)
 EPS : create a postscript le (not compatible with PLOT keyword)
 NORM_UXD : constant time normalization of .UXD multi scans les.
• Read .PGL les created by the Rietveld program XND by J.F. Bérar. The WinPLOTR format
is 106.
• The routine to read .IPC les created by WinPLOTR has been corrected.
• Microstructural analysis : the max_strain value, expressed in %% (1E-04), was not correct but
just multiplied by 1000 rather than 10000.

11 WinPLOTR news - T. Roisnel

December 2008

• X_space/Change_X_space_from_X1_to_X2 menu option has been added, allowing X

space transformations from every kind of input data.
• new keywords are available for the WinPLOTR command le, for X space transformations :
 TRANSF_2THETA_TO_Q, TRANSF_2THETA_TO_D, TRANSF_2THETA_TO_STL, TRANSF_2THETA_TO_S
 TRANSF_Q_TO_2THETA, TRANSF_Q_TO_D, TRANSF_Q_TO_STL, TRANSF_Q_TO_S
 TRANSF_D_TO_2THETA, TRANSF_D_TO_Q, TRANSF_D_TO_STL, TRANSF_D_TO_S
 TRANSF_STL_TO_2THETA, TRANSF_STL_TO_Q, TRANSF_STL_TO_D, TRANSF_STL_TO_S
 TRANSF_S_TO_2THETA, TRANSF_S_TO_Q, TRANSF_S_TO_D, TRANSF_S_TO_STL
• WAVE keyword for WinPLOTR command le
• interpolation procedure has been corrected.

November 2008

• WinPLOTR can read XY multicolumns les with tabulator used as separator

February 2008

• Some tools have been added for launching FullProf in a sequential mode :
 FPCYC dialog box
∗scripts (.bat le) can be created
∗Plot interatomic distances
 Tools/Run scripts menu option to execute a script le (.bat)
• Tools / Create buer : access to a dialog box to select a particular extension of data les to
be stored in a buer le.
• File/Save data as/save data as XYY menu option has been added. Format is compatible with
dierent software as KaleidaGraph, Origin, SignaPlot or Excel.
 
• FPCYC hkl button : arrays and variables are no more reset, allowing display of evolution of
dierent reexions.

January 2008

 
• SEQ button : evolution of dierent parameters coming from dierent .SEQ les (created by
FullProf in cyclic mode) can be simultaneously displayed

12 WinPLOTR news - T. Roisnel

October 2007

• .PGF les : comments are automatically displayed for X, Y, TEXT data ("DATA: X Y TEXT" in
place of "DATA: X Y COMM" where comment is display only after a mouse click on a particular
point).

September 2007

• .PRF les with Kα1 and Kα2 wavelength :

 Only plots versus 2θ are correct
 The calculated dhkl in the 'Reections positions list' is now correct
 Text/Write reections text menu option will only display reections indices corresponding
to the Kα1 wavelength

July 2007

• Some commands for WinPLOTR can be included in a command le called through the com-
mand line :
d:\progs> winplotr winplotr.cmd
This command le must have .CMD extension and can contain some keywords and related argu-
ments to order to be performed by WinPLOTR . Following keywords have been included :
 FILE file%name file%format
The file%name le will be read with the file%format WinPLOTR format (see user's
guide)
 SAVE_AS_XY
Data of input data le will be saved in a XY 2 columns le
 SAVE_AS_INSTRM_0
Data of input le will be saved as a INSTRM_0 le for FullProf
 FIT_SINGLE_PEAK
Data will be tted with a single peak prole
 FIT_SINGLE_DOUBLET_CU/FIT_SINGLE_DOUBLET_MO/FIT_SINGLE_DOUBLET_CO
Data will be tted with a single X-ray doublet prole for Cu, Mo, and Co radiation res-
pectively
• Calculations / Fit single peak and Calculations / Fit single doublet (for X-ray Cu, Mo and
Co Kα radiation) has been implemented. This allows automatic prole tting (without input of
parameters through mouse clicking and dialog box).

June 2007

• Calculations / Polymer crystallinity rate menu option has been added : access to the cur-
sor to select background points corresponding to the amorphous phase of the compound and
calculation of the crystallinity rate of a polymer as follows :
 integration of the amorphous phase intensities (a)
 integration of the sample intensity (s)
 crystallinity_rate = 1 - a/s

13 WinPLOTR news - T. Roisnel

March 2007

• Tools / PCR space group info menu option has been added and is active if a .PCR le has
been edited : informations about the space group in the current .PCR le are then output in a
window.
• Links have been created between structural parameters of the current edited .PCR le and input
parameters of the Tools / hkl list generation and tools / unit cell volume calculation dialog
boxes.

January 2007

• New facilities in the Rietveld plot options menu, activated after loading .PRF les :
 Save as .PRF template : all the plot features of the Rietveld plot (colors, graduations, text
legends, fonts ...) are stored in a template le (extension = *.TPL). The format of this
type of le is similar to the .PGF les created by WinPLOTR .
 Open .PRF template le : load all the plot features in a .PRF template le (*.TPL) for a
Rietveld plot.

November 2006

• Data le format coming from a Rigaku Rint diractometer has been add. The WinPLOTR
corresponding format number is #15 and the default extension is *.TXT

October 2006

• Help / FullProf Suite Web site links to the FullProf Suite at ILL :
http://www.ill.fr/pages/science/IGroups/diff/Soft/fp
• Help / FullProf user's guide / FullProf and microstructural eects menu option links to
microstructural_effects.pdf le present in the \doc or \tutorials folder
• WinDICVOL04 can create .PCR les for GSAS diraction data les

September 2006

• .CIF les created by GSAS can be read as prole data les

• Help / Environment variables menu option to get informations about environment variables
related to WinPLOTR and FullProf .

July 2006

• .CIF les containing experimental and calculated powder diraction proles and created by
FullProf (xx_prof.CIF) can now be read through the File / Open Rietveld-prole le menu
option. The WinPLOTR corresponding format is 105.

14 WinPLOTR news - T. Roisnel

February 2006

• MENDEL : X rays data for Cobalt radiation has been added

• Tools / hkl list generation menu option has been added

October 2005

• FullProf in cyclic mode :

 new item in the Cyclic mode of FullProf dialog box : the user can select to plot cy-
clic FullProf rened parameters or hkl features (intensity, position) coming from prole
matching run of FullProf . In this later case, Save HKL les has to be activated. A
new filename_FPCYC.HKL le is then created by WinPLOTR from the contains of the
filename_1.hkl les created by FullProf for the rst phase.
 
 New button labelled as CYC hkl has been add in the toolbar : its function is to allow to
select and read a FPCYC.hkl le created by WinPLOTR when FullProf is launch in a
cycle mode from the WinPLOTR interface. The user can then select to plot integrated
intensity
  or Bragg
 position
 of a selected hkl towards the external parameter.
hkl-  and hkl+
  buttons are then automatically activated to plot previous or next
reexion evolution.
 Save PCR les of cyclic run of FullProf :
∗ before running FullProf : initial .PCR le is saved as filename_save.pcr
∗ after running FullProf : nal .PCR le is saved as filename_final.pcr and filename_save.pcr
le is renamed as initial.pcr
• News plot features for .PRF les can be read directly in the setting le (after [PRF plot
options] part :
. write_Y_negative_graduations=1/0
. write_PRF_filename=1/0
 
• PRF-/PRF+
 
buttons are now activated after plotting a .PRF le if several .PRF files, are
present in the working directory.
• File/Save UXD le as single scans menu option has been added : it is active only when multiple
scans .UXD les have been plot (load data as RAW data) and allows to split a multiple scans
.UXD le to single scan data les (INSTRM10 format)

September 2005

• WDICVOL04 : .PCR les are now created with a zero shift value compatible with FullProf
. There was a mismatch in the denition of the zero shift between WDICVOL04 (2θreal =
2θobs + zero_shif t) and FullProf (2θreal = 2θobs − zero_shif t)

• Plot single crystal data PRF les : a check box has been added in the Select plot type dialog
box to allow/avoid sorting data by increasing X values. This kind of sort was automatically
performed in previous versions of WinPLOTR to avoid peculiar plots when continuous line is
selected for Yobs .
Skipping this sort can allow to access directly to the reexion index in the raw le by clicking
on a particular reexion.

15 WinPLOTR news - T. Roisnel

 • Help / Links to menu option has been added to access directly to CCP14 (http://www.
ccp14.ac.uk) and IUCR powder commission (http://www.iucr.org/iucr-top/comm/cpd)
web sites. Other internet links can be added by the user by dening web sites name and URL
address in the [WEB SITES] part of the winplotr.set le.
Example :
CDIFX = "http://www.cdifx.univ-rennes1.fr" ! cdifx (Rennes)
• Help / Download WinPLOTR menu option has been added to access directly to the winplotr.exe
le at :
ftp://ftp.cea.fr/pub/llb/divers/winplotr/winplotr.exe
A browser has to be dened in the winplotr.set setting le ([SYSTEM APPLICATIONS] part).
• Help / Download FullProf Suite menu option has been added to access directly to the FullProf
Suite package at :
ftp://ftp.cea.fr/pub/llb/divers/fullprof.2k/Windows/setup_FullProf_Suite.exe
A browser has to be dened in the winplotr.set setting le ([SYSTEM APPLICATIONS] part).

July 2005

• GSAS le containing the keyword TYPE = FXYE and TYPE = FXY can be read.
GSAS le containing several scans can be read.

June 2005

• File / Save as / XY le option is available if only one pattern on screen. The format of this 2
columns is compatible with the XCH software of Socabim (no comments, no header)
• raw data le coming from the new 3T2 multidetector with 50 collimators-detectors bank has
been integrated. The type of 3T2 le (20 or 50 detectors) is detected automatically.

April 2005

• The add peaks/background points and remove peaks /background points menu options are
now activated after manual peaks/backgroung points selection.
• The constant time normalization procedure for multiscans .UXD les is now adapted to overlap-
ped scans. If several Y values for a single X value are available, only the rst Y value is stored
in the INSTR_10 le.
• WinPLOTR is compiled with the new Crystallographic Fortran Module Library (JRC and JGP).

March 2005

• RGB colors code has been corrected and is now in agreement with Red, Green, Blue color code.
The user has now to change the R and B columns in the denition of the dierent colors used
by WinPLOTR in the winplotr.set setting le (RGB(rrr,ggg,bbb) parts) in order to get
the true colors. The RGB color is now dened as :
color=RED + 256*GREEN + 256*256*BLUE

Example :
RGB(255, 0, 0) corresponds to pure red

16 WinPLOTR news - T. Roisnel

February 2005

• Single crystal data coming from the 6T2 neutron diactometer (LLB, Saclay) is now readable
with WinPLOTR :
   
 multiscan le : Reections can be plotted ones after others through the hkl+ or hkl- 
buttons. Plot / select hkl reection menu option has been added to select in the multiscans
le a particular reection
 
to plot.
 
 single scan le : hkl+  or hkl-  buttons are also activated and allow to change the
numor of the le to plot le (and then the reection) in the working folder.
• Fixed bugs : correction of a bug in reading 6T1(LLB) les.
• New buttons to access the programs GBond_STR and GFourier has been added

November 2004

• Minor changes in WDICVOL04 and WTREOR90 : Setting les have been created (wdicvol04.ini
and wtreor90.ini respectively), containing the following optional parameters, united in dif-
ferent sections :
 [WDICVOL04/WTREOR90 window] : denition of the size and position of the text window,
in screen units (0. - 1.0 range). Default values are :
x_pos = 0.15
y_pos = 0.05
width = 0.70
height = 0.45

 [FULLPROF] :
∗ create_PCR_input_file= item : creation of PCR input les for FullProf (value is y
or n)
∗ IRF_file= item : denition of IRF le name (ireso=1 format) : this kind of le can
contained some experimental parameters as wavelength, angular range, diractometer
geometry, prole function, resolution parameters ... (see FullProf user's guide)
 [CRYSFIRE] :
∗ create_CRY_input_file= item : creation of CRY input les for CRISFIRE (value
is y or n)
 [EXPO] :
∗ create_EXPO_input_file= item : creation of input le for EXPO (value is y or n).
This corresponds to hkl=-2 in the .PCR le of FullProf .
∗ space_group, structure and cell_content items : denition of space group, structure
name and cell content for EXPO
These setting les are installed in the WinPLOTR folder but can also be copied in the working
directory for another setting.

October 2004

• WDICVOL04 (new version of the DIVOL program : A. Boultif and D. Louer, J . Appl. Cryst.
2004, 37, 724-731) is distributed through the WinPLOTR package and the FullProf Suite
. Please read the wdicvol04.ins user guide and the above article to have the features and
improvements of DICVOL.

17 WinPLOTR news - T. Roisnel

September 2004

• Buer type les can be loaded from the prompt : arguments are the buer le name and the
common WinPLOTR format of the data les (1 - 14) :

My_prompt> winplotr my_diffr_exp.buf 2 <cr>

• When quitting WinPLOTR , name and format of the last selected data le are now saved in
the winplotr.dir le in the WinPLOTR directory. These items are then taken as default in
the next WinPLOTR run. A last.PGF le is also created (in the WinPLOTR folder) and can
be load rapidly when launch WinPLOTR from the prompt by typing the following command :

My_prompt> winplotr last <cr>

 
• A new button has been added in the toolbar : click on Studio will allow to select a FST le
and then launch the FP_studio program (see fp2k.inf le for details concerning this new
crystal/magnetic structure visualisation program that is distributed through the FullProf Suite
).
The FP_studio can also be launch automatically after a FullProf run (the relative items in
the `PCR has to be adapted consequently) by adding as thirs item the draw_fst string in the
winplotr.set setting le, in the [AFTER FULLPROF RUN] part.
• A new smoothing procedure has been added, using Fourier ltering

July 2004

• Calculation / Constant time normalization : this new procedure can be execute from .UXD data
les containing several scans (dierent angular ranges with dierent counting time and step)
to create instrm10 le with data and sigmas normalized to a constant counting time.
• Prole tting procedure : if IRF is known (and ireso/=4), U,V,W resolution parameters
are automatically included in the starting parameters dialog box. Consequently, shift values of
FWHM are xed to zero.
• *.PIK/*.NEW les for prole tting : last item of line 1 corresponds to IRF and has to be
modied by the user. If equal to 1, an .IRF le will be created, containing a list of HG and HL
versus 2theta (ireso=4)

June 2004

• Excluded regions and text position can be saved in .PGF les

• display of several 2theta scans contained in .UXD les (File / raw data le menu option).
Default format associated to .UXD le is 9 (single scan le) but can be modied explicitely in
the [MY COMMAND LINE DEFAULT FORMATS] part of the winplotr.set le through the third
item (rst corresponds to .DAT extension and second to .PRF les respectively). The format
number associated to this multiple scans .UXD le is 56.
• xed bugs :
 .PCR les created by DICVOL were not correctly created (wrong values of resolution
parameters, prole function,scale factor ...) for neutron data

18 WinPLOTR news - T. Roisnel

  Protection for XY les containing continuous data with identical X values
 LOG(Y) option : a protection for zero counting data has been included

May 2004

• Fixed bugs :
 Prole tting after reload data and microstructural analysis
 Plot .SEQ les :
∗rened parameters are related to the phase
∗correct Y legend
 Run FullProf in cyclic mode : last number can be lower than rst number (inverse cyclic
mode)
 Protections for the case with all data equal to zero

April 2004

• Fixed bugs :
 Prole tting after automatic peak search procedure
 plot .XRF le after prole tting with .PIK input le or after automatic peak search pro-
cedure
 read .PGF les with xmin xmax and ymmin and ymax items
 Ymin graduation in manual mode zoom
 run user's dened programs

March 2004

• Line width in .UXD les has been extended to 512 characters to allow a correct reading of lines
containing 16 data.
• Cosmetic bugs has been corrected (ex : pen_width action)
• Calculation / I.R.F. menu option : the FWHM of the pseudo-voigt function is calculated from
the HG and HL values and the T.C.H. relationship
• access to the FullProf manual in HTML format

February 2004

• Wtreor90and WinDIC are now running with input les stored in directory whose name contains
blank character (" ")
• .SEQ le : error barrs are automatically display and their values are taken into account in the
min and max values calculation in the plot.
• Open setting le menu option has been added. The user can then select the setting le useful
for his work. The default name of the setting le is winplotr.set but can be more explicit
(ex : wpl_neutron.set, wpl_xrays_D8.set ...).

19 WinPLOTR news - T. Roisnel

 • a link to FullProf news and WinPLOTR news (HTML format) has been added (these HTML
les are distributed in the last FullProf Suite package and copied in the fullprof_suite\docs
folder).
 
•

FP cyc 
button has been added : it allows to launch the DOS version of FullProf in a cyclic
mode (this version is explicitely dened in the winplotr.set le, through the fp_console
item in the [RUN PROGRAMS] part. The dierent arguments to launch cyclic FullProf are input
by the user in a dialog box.
 
• .SEQ les (output le created by a cyclic run of FullProf and rpa=-2) can be displayed (SEQ 
button or automatically after a cyclic run of FullProf .
• instrm14 data le has been added in the pattern list (corresponding extensions= *.DAT;*.GSS;*.GSA).
It corresponds to multi-bank time of ight data (ISIS normalised data)
• .NEW input les can be selected to launch FullProf . In that case, it is previously copied to .PCR
le (FullProf is always running with .PCR input les).

January 2004

• .IRF le with ireso=4 can contain WAVE item before the list of HG and HL values
• new item in the Peak search parameters dialog box : Display Bragg peaks positions
• cosmetic changes in the winplotr.set setting le. Each item is now dened between '[' and
']' characters. This new format is of course compatible with the old one.
• new version of Wtreor90.exe : the *_treor_cell.sum le for Crysre was not correctly
created in case of hexagonal solutions
• Tools / space group infos : space group extinctions rules are output
• For more clearness, the list of the dierent kind of powder diraction data has been splitted in
several groups :
 pattern les (13 formats) corresponding to FullProf compatible formats
 raw data les (5 formats) including multicounters diractometers data
 prole type les (5 formats) : WinPLOTR/XRFIT, FullProf, Jana2000, Rietan2000 and
Debvin
 microstructural les
The corresponding WinPLOTR formats ranges (useful for example when WinPLOTR is laun-
ching through a command line) are the following ones :
 pattern les : 1 - 13
 raw les : 51 - 55
 prole les : 100 - 104
 microstructural les : 201 - 204
• 3T2 neutron multicounters diractometer (LLB-Saclay) raw data le has been included*
• Fonts are now saved in .wpl les
• a winplotr.set setting le can be present in the working directory. If not, WinPLOTR
will use the setting le in the directory associated to the WINPLOTR environment variable
(d:\fullprof_suite for example). The user can then have in each working directory a settings
le adapted to the powder diraction problem he is dealing with.

20 WinPLOTR news - T. Roisnel

November 2003

• Instrumental parameters can be read from the .IRF le in the starting parameters dialog box of
the prole renement procedure. This new option is valid for TOF data as well as CWL data.
• The prole tting procedure for TOF data is now running properly. It uses the nprof=9
function dened in FullProf (convolution of pseudo- Voigt with a pair of back-to-back expo-
nentials).
• Dierent kinds of IRF les can be used, depending on the item ireso (as in FullProf ). It can
be dened in the winplotr.set setting le in the MY IRF FILE part : rst item corresponds
to the ireso value and the second one to the IRF le name.

! MY IRF FILE (IRESO IRF_file_name): 4 d:\fullprof_suite\IRF_files\my_irf.IRF

For ireso/=4, the .IRF le contains 6 instrumental resolution parameters (Uins, Vins, Wins,
Xins, Yins, Zins ) which meanings are dependent of ireso value :

ireso=-1 pseudo-Voigt prole

H**2 = UINS tan(q) + VINS)*tan(q) + WINS
ETA = XINS + YINS *q + ZINS *q*q

ireso=1 Voigt prole (corresponds to nprof=7 in FullProf )

HG**2 = UINS tan2(q) + VINS*tan(q) + WINS
HL = XINS*tan(q) + YINS/cos(q) + ZINS

ireso=2 Voigt prole

HG**2 = (UINS tan(q) + VINS)*tan(q) + WINS
HL = (XINS*2q + YINS)*2q + ZINS

ireso=3 Voigt prole

HG**2 = (UINS*2q + VINS)*2q + WINS
HL = XINS*2q + YINS)*2q + ZINS

This IRF les are the same as used by FFullProf and then can contain some informations on
the diratometer setup (see FullProf documentation for more details) : WAVE/, GEOM, CTHM
...
For ireso=4, the .IRF le contains a list of HG and HL values versus 2theta.

October 2003


• new button Reset
in the toolbar
• a CIF viewer can be dened by the user in the winplotr.set setting le in the ! SYSTEM
APPLICATIONS part. This CIF viewer is associated to .CIF les (created by FullProfwith
rpa=-1) and allows to display crystal structure directly through a single click on the 
view 

21 WinPLOTR news - T. Roisnel

 CIF button. The authors strongly recommend the Mercury program for visualization of mole-
cular crystal structure (http://www.ccdc.cam.ac.uk/prods/mercury/index.html)
• Calculation / data normalization menu option has been added

September 2003

• fonts can be dened by the user in the winplotr.set setting le in the ! TEXT FONTS section :

TEXT FONTS : Typeface point italic underline strikeout bold

main title : Times New Roman 18 F F F F
X legend : Times New Roman 18 T F F F
Y legend : Times New Roman 18 T F F F
X graduations : Courier 14 F F F F
Y graduations : Courier 10 F F F F
le name : Courier New 10 F F F F
(hkl) indices : Times New Roman 10 F F F F
dialog boxes : Times New Roman 10 F F F F

• Vertical and horizontal lines can be draw (Plot / draw vertical-horizontal line menu option
• HGL viewer can be dened by the user in the winplotr.set setting le
• LOG(Y) option : a protection for negative data has been included
• A molecular weight calculation has been included : Tools/molecular weight calculation menu
option
• Some changes in the peak search algorithm : shoulders positions are determined with better
accuracy. The number of iterations for data smoothing procedure can be input by the user

July 2003

• Peaks positions can be saved for McMaille program (indexing powder patterns by Monte Carlo
method, A. LeBail :
http://www.cristal.org/McMaille/McMaille-v3.html)
• The CFML tools are used in WinPLOTR :

 new prole tting procedure, available for CWL data and TOF data
 Tools menu is added, leading to new crystallographic tools as Space group info and Unit
cell volume calculation


June 2003

• several TOF GSAS les can be displayed simultaneously

22 WinPLOTR news - T. Roisnel

May 2003

• new general graphic le can be created and loaded by WinPLOTR . It contents some general
features on the graphic plot (legend text, graduations, colors ... ) and data in XY format.
• bug in reading .UDF les from Panalytical has been corrected.

April 2003

• New input les for FullProf (.new can be automatically edited after a FullProf run : change the
edit_pcr string to edit_new string in the WinPLOTR setting le (! AFTER FULLPROF
RUN: section). This can be useful if ipc parameter is equal to 2 in the .PCR le.
• Minor change in the INSTRM_0 data le created by WinPLOTR : the step item is now
written with a F14.6 format, i.e. with 6 decimal numbers. The previous format (F14.4) was not
enough accurate for data coming from countinuous scans (step corresponds to an electronic
step rather than mechanical step).
• Dierent Y scales are available : linear, log and SQRT (Options / Y scale menu option)

March 2003

• Format #17 (Philips X'Pert) and #18 (Philips X'celerator) have been merged into a single
PANalytical format. Dierent kinds of data le formats can be read and are discrimated from
their respective extensions : *.UDF, *.CSV, *.JCP and *.XRDML.
Don't forget to change the data le description in the winplotr.set setting le (DATA FILES
EXTENSIONS: section). It has to be as follows :

16 *.CPI !16 : CPI (Xrays)

17 *.UDF ;*.JCP ;*.CSV ;*.XRDML!17 : PANalytical formats
18 *.DAT !18 : ESRF multi analysers

• the bug in reading .UXD le with _2THETACOUNTS and _2THETACPSis corrected
• The winplotr.pdf le containing user's guide can be read trought the WinPLOTR GUI (Help
/ User's guide / winplotr.pdf ) if a PDF reader is dened in the winplotr.set setting le
• .XRDML data les from Philips diractometer has been included. It has been associated to
data le format number 18 (Xcelerator)

February 2003

• Select pen_width option is now compatible with dashed and dotted lines
• cosmetic changes in automatic 3D plots

23 WinPLOTR news - T. Roisnel

January 2003

• small bugs have been xed :

 prole tting with .UXD le and CPS data
 launching WinPLOTR through a command line for data le (Rietveld or Microstructural
les were OK)
• Windows explorer can be launch from the WinPLOTR GUI through the External applications
/ Explorer menu option or by a button in the toolbar
• output les created by the prole tting procedure in WinPLOTR are now labelled as filename_pf.*.

December 2002

• WinPLOTR is now distributed via the FullProf Suite package

(http://www-llb.cea.fr/fullweb/ftp/pub/divers/fullprof_suite/setup_fullprof_
suite.exe). This suite contains FullProf , WinPLOTR , GFourier, EdPCR ...
• Data le from ESRF multi analysers diractometers (i.e. : ID31) has been included

November 2002

• IRF le (ireso=4 format) can be dened in the winplotr.set through the ! MY IRF FILE
(IRESO=4) item
• small change in the prole tting parameters dialog box : create .IRF file / create
.IPC file / no output file radio button has been added.
• some system applications can be dened in the winplotr.set le, in the ! SYSTEM APPLICATIONS
part :

Browser ="C:\Program Files\Netscape\Communicator\Program\netscape.exe"

="C:\Program Files\gstools\gsview\gsview32.exe"
PostScriptViewer
PDFreader ="C:\Program Files\Adobe\Acrobat 4.0\Reader\AcroRd32.exe"
BMPviewer ="c:\winnt\system32\mspaint.exe"

• Help / WinPLOTR web site menu option : access to the WinPLOTR web site
(http://www-llb.cea.fr/fullweb/winplotr/winplotr.htm) through the previously de-
ned browser
• Help / User's guide / FullProf manual menu option : load the fullprof_manual.pdf le
('fullprof_directory\docs folder) into the previously dened PDF reader
• External applications / PostScript viewer menu option : access to the Windows directories
dialog box to select a PostScript le and view it with the previously dened PostScript viewer
• WinPLOTR web site can be accessed directly in the Help menu option, if a browser has been
previously dened in the winplotr.set le.
• PostScript les can be viewed through a previously dened PostScript viewer (External appli-
cations / PostScript viewer menu option).

24 WinPLOTR news - T. Roisnel

• some small changes in the procedure to launch WinPLOTR from a command line : the two
arguments in the command line are not order depending :
winplotr 101 fullprof_file.PRF
and
winplotr fullprof_file.PRF 101
are correct.

In the second way, if the second argument (data format) is missing, the format is deduced from
the le name extension. In the case of .DAT les or .PRF les, the default corresponding formats
can be dened in the winplotr.set le through the ! MY COMMAND LINE DEFAULT FORMAT
items. This new option can be helpful to visualize patterns in WinPLOTR directly from the
Windows Explorer by just clicking on a data le (the corresponding extension has of course to
be associated to WinPLOTR ).

October 2002

• Microstructural analysis
 new items in the winplotr.set :
∗ ! MY RESOLUTION PARAMETERS: part can contain until 6 parameters values (reals)
to dene the Instrumental Resolution Function.

Number of
parameters I.R.F.
3 Pseudo-Voigt
H**2 = U.tan**2(theta) + V.tan(theta) + W

4 Pseudo-Voigt
H**2 = U.tan**2(theta) + V.tan(theta) + W + Z/cos(theta)

5 Voigt
HG**2 = U.tan**2(theta) + V.tan(theta) + W
HL = X.tan(theta) + Y/cos(theta)

6 Voigt
HG**2 = U.tan**2(theta) + V.tan(theta) + W
HL = X.tan(theta) + Y/cos(theta) + Z

The last
HG and HL angular dependances are corresponding to the the format
ireso=1 of .IRF le in FullProf
∗ ! DETERMINATION OF INTRINSIC PROFILE COMPONENTS: leads to perform, at the
end of a prole tting procedure, a deconvolution from the instrumental part des-
cribed just above. Output .IPC le (containing intrinsic prole and microstructural
parameters) is created.
∗ Calculation / Read IRF le (IRESO=4) menu option :
IRF can be read in a le, containing a list of 2θ(), HG(), HL() values, as for
the ireso=4 IRF le format in FullProf .
This IRF le is then used after the tting procedure to perform a microstructural

25 WinPLOTR news - T. Roisnel

 analysis (HG_instr and HL_instr for the rened positions are calculated through a
cubic-spline interpolation of HG_instr 's and HL_instr 's contained in the IRF le)
 prole tted angular ranges are now graphically distinguish : they appear with a particular
color after Calculation / reload data le menu option. These angular ranges are treated
as excluded regions. The default color for these ranges is grey (in not dened in the
winplotr.set le through the !EXCLUDED REGION COLOR: item), but it can be changed in
the Plot / excluded regions color menu option.
Excluded regions in .PRF les are now plotted by this way. If you don't want to see any
points in these regions, you just have to select for the Excluded region color the same
color than the Background plot color.
 for more clearness, colors in the winplotr.set can be now dened using a RGB code :
color=RED*256*256 + GREEN*256 + BLUE
Example :
! BACKGROUND SCREEN:
background screen color: RGB(228,255,255)
and ! BACKGROUND SCREEN:
background screen color: 15007743

are equivalent
 Calculation / IRF : access to dialog box to enter instrumental resolution parameters,
calculate the I.R.F. and then plot it on the screen.
 peak positions can be saved as .PRN le (CHECKCELL format)
 Add/remove peak : the list is updated in the text window after clicking with the right
mouse button to exit from the procedure
 prole tting can be followeg graphically during the tting procedure (ag in the starting
parameters tting procedure dialog box)
 PRF les with single crystal data containing ipping ratio renements can be plotted

September 2002

• WTREOR90 version in the last package was bugged : it has been corrected
• the possibility to read a reexion list from an external ASCII le has been included (Text /
Open reexion le menu option). Then, this le content is written as text over the pattern.
The format of this le is the following (lines beginning by ' !' or '#' are comments) :

!Example of reflexions file

! silicium a=5.4307 Fd-3m
! wave=1.54056 A
! X-ray pattern
!2Theta (hkl)
28.4430 ( 1 1 1) Si
47.3038 ( 2 2 0) Si
50.0000 <<< impurity ?
56.1236 ( 3 1 1) Si
58.8576 ( 2 2 2) Si
69.1316 ( 4 0 0) Si
76.3780 ( 3 3 1) Si

26 WinPLOTR news - T. Roisnel

 88.0324 ( 4 2 2) Si
94.9550 ( 3 3 3) Si
94.9550 ( 5 1 1) Si
106.7116 ( 4 4 0) Si
114.0957 ( 5 3 1) Si
116.6474 ( 4 4 2) Si

June 2002

• data can now be saved in a instrm=0 format (available only if one pattern on screen) :
interpolation is performed through a cubic spline procedure. The format is compatible also with
Rietveld format (*.dat) in CHECKCELL
• new facilities in WinTREOR90 and WinDICVOL (thanks to Alain Lafond for suggestions and
discussions) :
 output les (.SUM and .CRY) for the CHECKCELL program (J. Laugier and B. Bochu :
http://inpg.fr/LMGP)
 corrections of bugs in WinTREOR90 in the .PCR creation procedure (wavelength, space
group)
• New dialog box in the Save as TREOR points option in WinPLOTR : MONO, CEM, MERIT
parameters can be modied by the user
• Prole tting procedure : sub-proles (peaks_n.xy) are now correctly calculated
• EdPCR, the new GUI for editing and modifying the .PCR input les for FullProf , is now dis-
tributed in the WinPLOTR package and can be launched through the WinPLOTR interface.
Thanks to Javier Gonzalez-Platas and Juan Rodriguez-Carvajal for their hudge work to create
this interface.

May 2002

• WinPLOTR can now be launch through a command line following by two arguments :
 rst argument corresponds to the format number (integer) :
∗ format = 1,2 ... 18 : diraction pattern with format corresponding to the list number
in the format dialog box

Example : format=0 for X,Y format

format=1 for instrm=0
...

∗format = 101, ..., 104 : Rieveld format for FullProf , Jana2000, Rietan2000 and
Debvin respectively
∗ format = 201, ..., 203 : microstructural le (same order than in the Open microstruc-
tual le section)
 second argument correspond to the data le name

Example : > winplotr 101 fullprof_file.PRF

> winplotr 7 pbso4.dat

27 WinPLOTR news - T. Roisnel

 This new opportunity can be interesting to be launch by the own user application that can
create data le those format is compatible with WinPLOTR .

• a PRF
button has been added in the toolbat to open and display a .PRF FullProf le
• the bug to display multipattern .PRF le with npat>9 has been corrected
• the Text / display reections list option has been added : it is valid only for .PRF, .XRF le or
after an automatic peak search. It allows to display and store the position list (in 2θ (), d(Å),
Q(Å−1 ), sinθ/λ(Å−1 )

• the Text / write reexions text menu option is valid after the prole tting procedure
• the Text font / (hkl) indices font option is now valid after writing reexions indices and/or
positions
• , ,
Xmin Xmax Ymin and Ymax values in the zoom dialog box are related only to previous values
entered by the user in this dialog box : they are not corresponding the extrema values selected
by the mouse. This change has been implemented to help to user to keep some Xmin ... values.

April 2002

• some bugs have been corrected :

 in the reading *.WPL les procedure
 display reection positions
• multi-phases .PRF les created by Jana2000 are now recognised

March 2002

• last version of Wfp2ks and fp2ks are included (previous one was bugged for .PCR les containing
distances and angles constraints)
• wavelengths supplied by the user in the winplotr.set le are correctly interpreted
• the bug in the Save settings procedure is corrected
• for more clearness, Exit right button text is replaced by Valid & exit

February 2002

• Microstructual .MIC le (created by FullProf ) can now be read

• XRFIT.pik le is created after the validation of the Prole tting parameters
dialog box. This
le is entirely compatible with the XRFIT DOS program. This old program is still useful for a
cyclic prole tting procedure, for example.
• Exit tool has been included in the toolbar
• bug in the save as multicolumns le menu option has been corrected
• positions of reexions can be displayed on Rietveld patterns plot : use the Text / Write reexions
text menu option

28 WinPLOTR news - T. Roisnel

January 2002

• some small bugs have been corrected

• Executable le is now compacted. Thanks to M. Oberhumer and L. Molnar for their UPX free
compactor (http://upx.sourceforge.net/)

October 2001

• M' calculation is included in DICVOL, according to the denition in NTREOR (ref : Altomare
et al., J. Appl. Cryst. 33, 1180 (2000) )
• data from the Fit2D program (extension=.CHI ; ESRF) has been included the X,Y data formats

September 2001

• Problem with TREOR and angular 2theta positions lower than 1.0 deg. : remove such kind of
data when you are dealing high energy synchrotron data
• data le from X'Pert (Philips) diractometer has been included
• the PRF file format is removed from the data le list and is now only in the Rietveld le
format list ( ! ! change the data le list in your setting le ! !.

July 2001

• data le from X'celerator (Philips) diractometer has been included

• a bug in the Wito/WinPLOTR interface has been corrected

June 2001

• (hkl) reexions can be displayed on Rietveld patterns plot : Write reexions indices (ON/OFF)
in the Text menu option
• 3D plots can be realized rapidly (default parameters) : Plot 3D+/3D- in the Plot menu option

May 2001

• The bug in the Reload data le menu option is now xed
• Position of the les names can be specied by the user (Text / Legends positions )

April 2001

• The following bug has been xed : . text has microscopic size in the File / Print procedure
• Linear t of microstructural data can be performed

29 WinPLOTR news - T. Roisnel

March 2001

• Rietveld proles le created by Jana2000 (.PRF) has been included

• Bitmap les can be created

February 2001

• Plots for a microstructural analysis can be performed :

 Williamson Hall : integral breath b* versus 1/d
 Average size-strain : (b*/d*)**2 versus b*/d*2
• A Windows version of the ITO15 program (J. Visser) is distributed within the WinPLOTR.zip
package
• The DOS command option has been replaced by the Open a DOS window option
• Data le .CPI created by POUDRIX (J. Laugier and B. Bochu) has been implemented
• Default version of FullProf is wfp2k.exe

January 2001

• some changed in the prole tting procedure of doublets have been performed : X-Rays Kalpha1
and Kalpha2 wavelengths can be dened by the user in the winplotr.set le by dening two
new items :
! MY X-Rays WAVALENTHS (A):
Kalpha1_wavelength Kalpha2_wavelength

• Text fonts for legends can be changed by the user in the Text / text fonts menu options
• Copy text to the clipboard can be realized in text windows
• the Windows calculator can be spawn through WinPLOTR

December 2000

• Rietveld les created by Rietan2000 (.PAT) and Debvin (.GRA) Rietveld programs have been
included
• ipl2=2 .PRF Rietveld le created by FullProf has been included (IGOR format)
• Data le (.INT) for Rietan2000 has been included
• Positions and rotation of the legends texts can be dened by the user (Text / Legends positions
menu option) and stored in the winplotr.set settings le
• Oset X and Y values can be dened for each pattern independently

30 WinPLOTR news - T. Roisnel

November 2000

• Xray attenuation coecient and total interaction cross sections have been included in the
MENDEL program
• .CPI data le format has been included
• WinDICVOL and WinTREOR90 : .CRY les as input les for CELREF, CHEKCELL are
creating

October 2000

• Prole tting procedure : the HG and HL parameters (FWHM of the Gaussian and Lorentzian
part respectively, of the Voigt function are calculated from the pseudo Voigt approximation
parameters (Fwhm, eta) using the Thompson-Cox-Hastings formulation : A FILENAME.IRF le
is created, containaing HG and HL versus 2θ.
• Powder diraction pattern can be transformed to another wavelength pattern

September 2000

• Correction of a bug in reading time of ight data coming from Argonne

July 2000

• After plotting a .PRF le, a .SUB le (created by FullProf ) is automatically shifted according
to the shifts parameters of the .PRF le.
• The calculation of the FWHM from the Caglioti formula has been implemented (Calculation/FWHM(Caglioti
) menu option)
• The number of user's dened editable les has been extended from 2 to 4

June 2000

• the bug in WinDIC in the triclinic case (display unit cell parameters on the screen and in the
.UCP le) has been corrected
• a bug has been corrected in the manual t dialog box (selected peaks)

May 2000

• a bag version of the INSTALL program has been installed in the LLB ftp area : it has been
corrected

April 00

• some changes in the Save as TREOR input le subroutine have been performed in order to
interface the last TREOR Windows version :
 rst two lines are beginning with the ' !' character

31 WinPLOTR news - T. Roisnel

  reection intensity and background are stored
• new TREOR windows version :
 after successfull run, automatic generation of PCR input le
 for FullProf (prole matching mode)
• WinDICVOL window size and position can be dened in the windic.ini settings le (stored
in the directory associated to WinPLOTR through the winplotr environment variable

March 2000

• new procedure to plot red selected reexions and selected background points (it would be more
rapid with very large of points in the data les - synchrotron data for example-)
• Help / WinPLOTR help le menu option has been changed
• Select les dialog box has been modied (bug with large number of data les
• ! EDIT FILES: item in the winplotr.set le : denition of les (type + extension) that can
be edited in the External applications / Edit a le menu option
• Peak search and background points search are running correctly with d spacing data
• PFE editor has been removed from the WinPLOTR package
• some bugs in the postscript and HPGL les have been corrected
• frame features can be modied by the user : line thickness, major and minor tics thickness and
length
• bugs have been corrected in the creating/reading *.WPL les procedures
• SELECT option in the External applications menu : select an .EXE le to run from WinPLOTR

February 2000

• Fitting procedure from a .PIK le can be performed with instrm=10 (with sigmas as third
column) data les

January 2000

• a background substraction procedure has been implememented in the Calculation menu

• small bugs have been corrected in the following menu options
 save as TREOR points : inversion of the VOLmax and BETAmax item values
  
 PRF+
 / PRF-
tools : problem with the '_' character in the directory name
• the PFE editor is now distributed with the winplotr.zip package and is considered as the
default editor
• the winplotr.set le can be edited from WinPLOTR through the External applications /
Edit a le / Winplot.set le menu option

32 WinPLOTR news - T. Roisnel

October 1999

• the .PRF le can be automatically plotted and .PCR le can be automatically loaded after a
FullProf run, by dening two new items in the winplotr.set le :

! AFTER FULLPROF RUN:

item_1 item_2
!
item_1 = plot_prf => the PRF file is plotted (default value)
no_plot_prof => the PRF file is not plotted

item_2 = edit_prf => the PCR file is edited

no_edit_prof => the PCR file is not edited (default value)

September 1999

• bugs have been corrected in the Calculation/Integration and Calculation/Prole tting menu
option of the previous WinPLOTR .

July 1999

• a new zoom and graduations routine has been implemented.

• a winplotr.hlp HELP le has been created. It can be loaded through the Help / WinPLOTR
help le menu option.
• The utility launched by WinPLOTR to read the winplotr.hlp le is winhlp32.exe by
default. However, it can be dened in the winplotr.set le in the /! HELP FILES: part, as
the following :
. ! HELP FILES:
. N winhelp

• some bugs in the peak search routine has been corrected

June 1999

• bug in readimng the instrm=4 data les (Brookhaven format) has been corrected

May 1999

• .PRF les (single crystal data) can be displayed as a F2calc = f(F2obs) plot
• sorry for the last bad version of the INSTALL.exe program : it has been corrected now
• winplotr.set / !run programs : program name that will be launched by WinPLOTR can
be .LNK les as well as .EXE les
• The number of user's dened programs is extended to 10
• File / le Infos menu option : displays in a text window some informations about data le

33 WinPLOTR news - T. Roisnel

 • ! MY DEFAULT FORMAT: keyword in the winplotr.set le allows to dene the default format
in the select format dialog box. If no default format has been dened, rst format (X, Y format)
will be taken as the default one.

April 1999

• buer le can contain some optionnal informations, as for example temperature, experimental
conditions ...
• plot / reverse order option
• user's DOS program denition in the winplotr.set le : the number of arguments accompa-
gnying the relative DOS program can be specied in parenthesis at the end of the denition
line.
ex : Fullprof_dos = FULLPROF !FullProf dos version !DOS version (2)
In this case, WinPLOTR will open two dialog boxes to select the two arguments les for the
FullProf program. The following command line is then executed :
FULLPROF selected_file1.PCR selected_file2.DAT
If the program comment starts with fullprof 'in capital or lower case letters), WinPLOTR
will automatically display the last .PRF le created by FullProf .
• Windows version of TREOR (WTREOR90.exe and the user's guide ) are now included in the
winplotr.zip le and automatically installed with the INSTALL.exe program.
• user's diractometer resolution parameters can be dened in the winplotr.set le, via the !
RESOLUTION PARAMETERS (U,V,W): keyword in the winplotr.set
• save as multicolumns le option : select X and Y columns to save for each le

March 1999

• Add / remove peaks options are now available after an automatic background points search
• Windows version of FullProf (WFP98.exe and related les) is now included in the WinPLOTR.zip
le. Automatic installations of WinPLOTR and FullProf are realized by launching the INSTALL.exe
program contained in the WinPLOTR.zip le.
• WinPLOTR is compatible with dispersive energy data

February 1999

• WinPLOTR is a GUI for the TREOR program (Windows version) :

 save selected points as TREOR points to create an input le for TREOR
 edit TREOR input le
 run TREOR
   
• new tools in the toolbar after plot of .PRF or .XRF les : hkl- / hkl+ buttons lead to display
in a text window the features of the previous / next Bragg reexion
  
• new tools in the toolbar after running the multipatterns version of FullProf : PRF-
/ PRF+ 
buttons lead to plot previous / next .PRF le.
• WinPLOTR is now compatible with the FullProf multi-patterns version (Wmfp99.exe) : just
change the appropriate item in the WinPLOTR.set le

34 WinPLOTR news - T. Roisnel

January 1999

• Peak search dialog box : choice between search single peaks and search Cu Ka1/Ka2
doublets
• Plot / 3d lines menu option
• some changes in the menu presentation :
 Options / Background colors menu option leads to the 'background colors menu'
 Text / Text colors menu option leads to the 'text colors menu'
 External Applications / Edit a le leads to the 'edit a le menu'
 External Applications / Run user's programs leads to the 'run user's programs menu'
• External Applications / Edit a le new menu option
• isntrm= 1 data le format (data from variable time X-ray data collection) has been included
(raw or normalised data)
• WinPLOTR can be used as a GUI for SuperCELL program (search of commensurate supercell
or incommensurate propagation vector) :
 Points selection / save as SuperCELL points option
 External applications / edit .SAT le option
 External applications / Run SuperCELL option
 Supercell program name is stored in the winplotr.set le in the ! RUN PROGRAMS:
section
• Help menu : 'Help Files option as a switch to display or not help les in windows
• the instrm=9 data les are now correctly read
• ! HELP FILES: keyword in the WinPLOTR.set le : display or not user's guide les in a window

• a new initilialization routine has been implemented : I hope the slowness in the Reset and Run
Fullprof options are now desappeared

December 1998

• Colored PostScript les

• FullProf default version is Wfp98 (Windows version)
• Dicvol default version is Windic (Windows version)
• the 's=1/d (A-1)' X space is available
• multiply X values option
• instrm=4 data le format has been included (data from Brookhaven synchrotron)
position and size of the WinPLOTR main window can be dened in the winplotr.set le, via
the ! MAIN WINDOW POSITION AND SIZE: keyword. The parameters in the following line are
related to the upper-left corner coordinates (x and y ) and the width and height of the window,
respectively. These values have to be between 0. and 1.

35 WinPLOTR news - T. Roisnel

November 1998

• tting prole procedure will create an XRF output le, containing X(i), Yobs(i), Ycalc(i), Yobs-
Ycalc(i) and background(i) values and position, intensity, full width at half maximum and eta
value for each tted reexion.
This XRF can then be loaded by WinPLOTR and is considered as 5 les. Click with the mouse
on reexions tics will displayed in a window the corresponding position, intensity, fwhm and eta
• some changes in the prole tting procedure :
 introduction of U,V,W resolution parameters
 introduction of an angular dependence of the eta parameter (lorentzian part in the pseudo-
Voigt function) :

pV(2Theta) = Eta*L(2Theta) +(1-Eta)*G(2Theta)

Eta = Eta0 + X*2Theta
• Selected points / Add peaks and Selected points / Remove peaks option : lead to the
capability to add (or remove) reexions to (or from) a list of Bragg peaks determined by the
automatic peak search procedure : an automatic prole tting procedure can then be executed,
taking into account this new reexions list
• the user can select and save screen background color, introduction text color and plot back-
ground color

October 1998

• File/save as multicolumns le option : create a multicolumns le with all the data on the
screen, with the following format :

X_1 Y_1 X_2 Y_2 .... X_n Y_n

• some modications have been done in the Win_DICVOL91 program (Windows version of
DICVOL91) in order to create .PCR les for FullProf to test rapidly unit cell solutions proposed
by progWin_DICVOL91
• Automatically nded peaks can then be stored in a .DIC le for a further automatic search of
the unit cell
• an automatic background search procedure has been implemented (Points selection / automa-
tic peak search option). The results of this automatic procedure are related to background
threshold value, that can be stored in the winplotr.set via the ! BACKGROUND THRESHOLD:
keyword. Default value is 0.05.
• an automatic peaks search procedure has been implemented (Points selection / automatic
background option). The results of this automatic procedure are related to background thre-
shold values, that can be stored in the winplotr.set via the ! PEAK SEARCH DETECTION
THRESHOLDS: keyword. These values can be changed by the user, and are dened as follows :
T1 : sensitivity to nd 'real peaks'
T2 : sensitivity to nd 'shoulder peaks'
Default values are the following : T1 = 0.02 and T2 = 2.

36 WinPLOTR news - T. Roisnel

 • An automatic prole tting can be performed after the automatic peak search procedure
• an automatic procedure for installing WinPLOTR has been realized : all the WinPLOTR and
install les are zipped into a winplot.zip le. To install WinPLOTR on your PC, unzip this
le and execute install.exe
• File / save sup le option :
 save data created by the calculation options : Summation, Dierence, Average, Derivative
and Smoothing procedures
 format = 2 columns X, Y
• a log le can be created to have a trace of that has been done during WinPLOTR using. This
le creating is related to the ! LOG FILE: keyword in the winplotr.set, and a winplotr.LOG
le is created in the directory dened by the WINPLOTR environment variable.
• order in the format list has been changed : please reload the last WinPLOTR.set (in pub/divers/winplotr
area) or delete the ! DATA FILES EXTENSIONS: part in yours.
• instrm=8 (data from DMC (PSI) diractometer) has been implemented
• options Plot/Excluded regions and PRF options/excluded regions have been implemented

September 1998

• problem in save WinPLOTR settings option has been corrected in the previous version
• user's programs can be executed from the External applications menu : the program name,
version and comment are dened by the user in the winplotr.set le, in the lines following
the ! RUN PROGRAMS: keyword.
.example : PLOTR = 'c:\progs\plotr.exe' ! PLOTR DOS version

As for FullProf, Edit or Dicvol, rst item on the line is related to the vertical External
applications menu item, second (after the '=' character) to the program that will be run, and
third (after the ' !' character ) to the text that will appear in the status bar of WinPLOTR
Remark : a maximum of 5 user's programs can then be dened
• data le extensions can be dened by the user in the winplotr.set, via the ! DATA FILES
EXTENSIONS: keyword

example : 1 *.xy ! X,Y data

2 *.dat ! INSTRM = 0
4 *.dat ;*.d1b ! INSTRM = 3

• multicolumns data les are now accepted in X,Y data format

• File/print Setup option has been removed (unused)
• instrm=10 data le format has been included (with XYDATA as keyword in the rst line)
• Fit procedure bugs bave been corrected
• X,Y le (with ' !' or '# as rst character of the lines) are now correctly read
• Link to DICVOL program (D. Louer & A. Boultif) :

37 WinPLOTR news - T. Roisnel

  select some points
 save as DICVOL points : ll a DICVOL dialog box to create a DICVOL le (.DIC)
 run the Windows version of DICVOL (External links)
• Calculation option :
 derivative data
 smoothing

July 1998

• t procedure dialog box :

 global Fwhm and Eta are displayed as rened parameters values
 add or remove peaks
 a file.XRF is created (column format) with rened parameters and standard deviations
values
• new tools in the toolbar : shrink or expand the plot frame width

June 1998

• a bug in the dierence calculation option, after selection of les to plot (Files/Select les ), is
corrected
• selected points values are displayed in text windows

May 1998

• G41 and G61 (LLB) les format has been included

• new tools in the toolbar :
 arrows : move through the patterns

 FP
: run FullProf program

 Pcr
: edit .Pcr le
 
 Fit : access to the prole tting procedure
• clicks on frame lines have been replaced by clicks on icons in the toolbar (if the zoom or focus
option has been previously activated)
• buer les with empty lines are read without error
• correction of bugs in :
 prole tting after select les among several les
 dierence calculation option
• If aWINPLOTR environement has been dened, the last current directory is stored in the
winplotr.dir le. This le will be read after each WinPLOTR executing to open les in
the directory previously visited by WinPLOTR .

38 WinPLOTR news - T. Roisnel

 • left mouse click on frame lines :
 right frame line : move the pattern to the right
 left frame line : move the pattern to the left
 down frame line : move the pattern to the down
 up frame line : move the pattern to the up

April 1998

• After running FullProf (Wfp98 Windows version), WinPLOTR will plot the last data le used
by FullProf , if a FULLPROF environment variable has been dened.
• link to an editor to edit a PCR.file : the editor name can be specied in the winplotr.set
le. If not, the notepad editor will be used. Unfortunately, you have to exit from the editor to
run FullProf (WinPLOTR have to stop a 'call(system) command'.
• The existence of a sigma data array can be specied by the ! SIGMA ARRAYS: item in the
winplotr.set le. Sigmas are then associated to all the data les to plot errors bars.
• Plot error bars
• Save pattern plots as file.WPL
• Open templated file.WPL
• Choice of the pen width
• Write or not the negative Y graduations
• Change the frame width of the pattern plot
• Prole tting procedure

March 1998

• Birthday of the beta version of WinPLOTR

39 WinPLOTR news - T. Roisnel