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 file, 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_THETA, TRANSF_STL_TO_Q, TRANSF_STL_TO_D, TRANSF_STL_TO_S
  . TRANSF_S_TO_THETA, TRANSF_S_TO_Q, TRANSF_S_TO_D, TRANSF_S_TO_STL
  

• WAVE keyword in WinPLOTR command file

  Example of WinPLOTR.cmd file:

  FILE 1 2theta.dat
  WAVE 1.5406
  TRANSF_2THETA_TO_Q
  SAVE_AS_XY
  

• Interpolation procedure has been corrected

November 2008

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

February 2008

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

January 2008

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

October 2007

• PGF files: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 files with K_alpha1 and K_alpha2 wavelengths::
  • Only plots versus 2theta are correct.
  • The calculated d_hkl in the 'Reflections positions list' is now correct
  • Text/Write reflections text> menu option will only display reflections indices corresponding to the K-alpha1 wavelength

July 2007

• Some commands for WinPLOTR can be included in a command file called through the command line:
  d:\progs> winplotr winplotr.cmd
  This command file must have .CMD extension and can contain some keywords and related arguments to order to be performed by WinPLOTR. For the moment, the following keywords have been included:
  
  . FILE file_name file_format
  The 'file_name' file will be read with the 'file_format' WinPLOTR format (see user's guide)
  SAVE_AS_XY
  Data of input data file will be saved in a XY 2 columns file
  . SAVE_AS_INSTRM_0
  Data if input file will be saved as a INSTRM_0 file for FullProf
  . FIT_SINGLE_PEAK
  Data will be fitted with a single peak profile
  . FIT_SINGLE_DOUBLET_CU/FIT_SINGLE_DOUBLET_MO/FIT_SINGLE_DOUBLET_CO
  Data will be fitted with a single X-ray doublet profile for Cu, Mo, and Co radiation respectively
  
• Calculations / Fit single peak and Calculations / Fit single doublet (for X-ray Cu, Mo and Co K_alpha radiation) has been implemented. This allows automatic profile fitting (without input of parameters through mouse clicking and dialog box).

June 2007

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

March 2007

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

Jan 2007

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

November 2006

• Data file format coming from a Rigaku Rint diffractometer 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 web site at ILL: http://www.ill.fr/pages/science/IGroups/diff/Soft/fp
• Help/FullProf user's guide/ FullProf and microstructural effects menu option links to the microstructural_effects.pdf file present in the '\docs' or '\tutorials' folder
• WinDICVOL04 can create .PCR files for GSAS diffraction data file

September 2006

• CIF files created by GSAS can be read as profil Rietveld/profile file
• New Help / Environment variables menu option to get informations about environment variables related to WINPLOTR and FULLPROF.

July 06:

• CIF files containing experimental and calculated powder diffraction profiles and created by FullProf (xx_prof.CIF) can now be read through the File / Open Rietveld-profile file menu option. The WinPLOTR corresponding format number is 105.

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 cyclic FullProf refined parameters or hkl features (intensity, position) coming from profile matching run of FullProf. In this later case, 'Save HKL files' has to be activated. A new filename_FPCYC.HKL file is then created by WinPLOTR from the contains of the filename_1.hkl files created by FullProf for the first 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 file 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 reflexion evolution.
  • Save PCR files of cyclic run of FullProf:
    . before running FullProf: initial PCR file is saved as filename_save.pcr
    . after running FullProf: final PCR file is saved as filename_final.pcr and filename_save.pcr file is renamed as initial PCR file

• News plot features for PRF files can be read directly in the setting file (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 file if several PRF files are present in the working directory.

• 'File/Save UXD file as single scans' menu option has been added: it is active only when multiple scans UXD file have been plot (load data as RAW data) and allows to split a multiple scans UXD file to single scan data files (INSTRM10 format)

September 2005

• WDICVOL04: PCR files are now created with a zero shift value compatible with FullProf. There was a mismatch in the definition of the zero shift between WDICVOL04 (2Theta_real = 2Theta_obs + zero_shift) and FullProf (2Theta_real = 2Theta_obs - zero_shift).

• Plot single crystal data PRF files: 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 Y's.
  Skipping this sort can allow to access directly to the reflexion index in the raw file by clicking on a particular reflexion

  .

• 'Help / Links to' menu option 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 defining web sites name and URL address in the [WEB SITES] part of the winplotr.set file.

  example:
  [WEB SITES] CDIFX = "https://cdifx.univ-rennes1.fr" ! cdifx (Rennes)

• 'Help / Download WinPLOTR' menu option has been added to access directly to the WinPLOTR.exe file at:
  ftp://ftp.cea.fr/pub/llb/divers/winplotr/winplotr.exe

  A browser has to be defined in the winplotr.set setting file ([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 defined in the winplotr.set setting file ([SYSTEM APPLICATIONS] part).

July 2005

• GSAS file containing the keyword TYPE = FXYE and TYPE = FXY can be read.

• GSAS file containing several scans can be read.

June 2005

• 'File / Save as / XY file' 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 file coming from the new 3T2 multidetector with 50 collimators-detectors bank has been integrated. The type of 3T2 file (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 files is now adapted to overlapped scans. If several Y values for a single X value are available, only the first Y value is stored in the INSTR_10 file.

• WinPLOTR is compiled with the new Crystallographic Fortran Module Library

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 definition of the different colors used by WinPLOTR in the winplotr.set setting file (RGB(rrr,ggg,bbb) parts) in order to get the true colors. The RGB color is now defined as:

  color=RED + 256*GREEN + 256*256*BLUE

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

February 2005

• Single crystal data coming from the 6T2 neutron diffactometer (LLB, Saclay) is now readable with WinPLOTR:
  • . multiscan file: Reflections can be plotted ones after others through the hkl+ or hkl- buttons. 'Plot / select hkl reflection' menu option has been added to select in the multiscans file a particular reflection to plot.
  • . single scan file: hkl+ and hkl- are also activated and allow to change the numor of the file to plot file (and then the reflection) in the working folder.

• Fixed bug: Correction of a bug in reading 6T1(LLB) files

• New buttons to access the programs GBond_STR and GFourier have been added.

November 2004

• Minor changes in WDICVOL04 and WTREOR90: Setting files have been created (wdicvol04.ini and wtreor90.ini respectively), containing the following optional parameters, united in different sections:
  • [WDICVOL04/WTREOR90 window]

    definition 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 files for FullProf (value is "y" or "n")
    • "IRF_file=" item: definition of IRF file name (IRESO=1 format): this kind of file can contained some experimental parameters as wavelength, angular range, diffractometer geometry, profile function, resolution parameters ... (see FullProf user's guide)

  • [CRYSFIRE]
    • "create_CRY_input_file=" item: creation of CRY input file for CRYSFIRE (value is "y" or "n")

  • [EXPO]
    • "create_EXPO_input_file=" item: creation of input file for EXPO (value is "y" or "n"). (remove the first line in the hkl file createdby FullProf with JHKL=-2)
    • "space_group", "structure" and "cell_content" items: definition of space group, structure name and cell content for EXPO

  These setting files 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 get the features and improvements of DICVOL.

Sept 2004

• Buffer type files can be loaded from the prompt: arguments are the buffer file name and the common WinPLOTR format of the data files (1 - 14):

  My_prompt> winplotr my_diffr_exp.buf 2 [cr]

• When quitting WinPLOTR, the name and format of the last selected data file are now saved in the 'winplotr.dir' file in the WinPLOTR directory. A "last.PGF" file is also created (in the Winplotr folder) and can be load rapidly when launch WinPLOTR from the prompt command as follows:

  My prompt> winplotr last [cr]

• A new button has been added in the toolbar: click on 'Studio' will allow to select a .FST file and then launch the FP_studio program (see fp2k.inf file 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 file, in the [AFTER FULLPROF RUN] part.

• A new smoothing procedure has been added, using Fourier filtering

July 2004

• Calculation / Constant time normalization : this new procedure can be execute from UXD data files containing several scans (different angular ranges with different counting time and step) to create INSTRM10 file with data and sigmas normalized to a constant counting time.

• Profile fitting 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 fixed to zero.

• *.PIK/*.NEW files for profile fitting: last item of line 1 corresponds to IRF and has to be modified by the user. If equal to 1, an IRF file 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 files

• display of several 2theta scans contained in UXD files (File / raw data file menu option). Default format associated to UXD file is 9 (single scan file) but can be modified explicitely in the [MY COMMAND LINE DEFAULT FORMATS] part of the winplotr.set file through the third item (first corresponds to DAT extension and second to PRF files respectively).

• Fixed bugs:
  • . PCR files created by DICVOL were not correctly created (wrong values of resolution parameters, profile function,scale factor ...) for neutron data
    
  • . Protection for XY files containing continuous data with identical X values
  • . LOG(Y) option: a protection for zero counting data has been included

May 2004

• Fixed bugs:
  • Profile fitting after reload data and microstructural analysis
  • Plot SEQ files:
    - refined parameters are related to the phase
    - correct Y legend
  • Run FP in cyclic mode:
    - last number can be lower than first number (inverse cyclic mode)
  • Protections for the case with all data equal to zero

April 2004

• Fixed bugs:
  • 'Profile fitting' after automatic peak search procedure
  • plot XRF file after profile fitting with .PIK input file or after automatic peak search procedure
  • read ".PGF" files with "XMIN XMAX" and "YMIN YMAX" items
  • Ymin graduation in manual mode zoom
  • run user's defined programs

March 2004

• Line width in .UXD files 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

• Wtreor90 and WinDIC are now running with input files stored in directory whose name contains blank character (" ")

• .SEQ files error barrs are automatically display and their values are taken into account in the min and max values calculation in the plot.

• Open setting file menu option has been added. The user can then select the setting file useful for his work. The default name of the setting file is winplotr.set but can be more explicit (ex: wpl_neutron.set, wpl_xrays_D8.set ...).

• a link to FullProf news and WinPLOTR news (HTML format) has been added (these HTML files 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 defined in the winplotr.set file, through the FP_console item in the [RUN PROGRAMS] part. The different arguments to launch cyclic FullProf (see fp2k.inf) are input by the user in a dialog box.

• .SEQ files (output file 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 file has been added in the pattern list (corresponding extensions= *.DAT;*.GSS;*.GSA). It corresponds to multi-bank time of flight data (ISIS normalised data)

• .NEW input files can be selected to launch FullProf. In that case, it is previously copied to .PCR file (FullProf is always running with .PCR input files).

January 2004

• IRF file 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 file. Each item is not defined between '[' and ']' characters. This new format is of course compatible with the old one.

• new version of Wtreor90.exe: the "*_treor_cell.sum" file for Crysfire 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 different kind of powder diffraction data has been splitted in several groups:
  • pattern files (13 formats) corresponding to FullProf compatible formats
  • raw data files (5 formats) including multicounters diffractometers data Rietan2000 and Debvin
  • microstructural files
  The corresponding WinPLOTR formats ranges (useful for example when WinPLOTR is launching through a command line) are the following ones: data has been splitted in several groups:
  • pattern files : 0 - 13
  • raw data files: 51 - 55
  • profile type files: 100 - 104
  • microstructural files: 201 - 204

• 3T2 neutron multicounters diffractometer (LLB-Saclay) raw data file has been included

• Fonts are now saved in *.wpl files

• a winplotr.set setting file can be present in the working directory. If not, WinPLOTR will use the setting file 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 file adapted to the powder diffraction problem he is dealing with.

December 2003

• Instrumental parameters can be read from the IRF file in the starting parameters dialog box of the profile refinement procedure. This new option is valid for TOF data as well as CWL data.

• the profile fitting procedure for TOF data is now running properly. It uses the NPROF=9 function defined in FullProf (convolution of pseudo-Voigt with a pair of back-to-back exponentials)

November 2003

• Different kinds of .IRF files can be used, depending on the item IRESO (as in FullProf). It can be defined in the winplotr.Set setting file in the "MY IRF FILE" part: first item corresponds to the IRESO value and the second one to the IRF file name.
  
  ! MY IRF FILE (IRESO IRF_file_name):
  4 d:\fullprof_suite\IRF_files\my_diffractometer.IRF
  
  For IRESO/=4, the IRF file contains 6 instrumental resolution parameters (Uins, Vins, Wins, Xins, Yins, Zins) which meaning are IRESO value:
  
  
  

  IRESO = -1	pseudo-Voigt profile	H**2 = (UINS tan(q) + VINS)*tan(q) + WINS ETA = XINS + YINS *q + ZINS *q*q
  IRESO = +1	Voigt profile (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 profile	HG**2 = HG**2 = (UINS tan(q)+VINS)*tan(q) + WINS HL = (XINS*2q+YINS)*2q + ZINS'
  IRESO = +3	Voigt profile	HG**2 = (UINS*2q+VINS)*2q + WINS HL = (XINS*2q+YINS)*2q + ZINS

  
  This IRF files are the same as used by FullProf and can then contain some informations on the diffractometer setup (see FullProf documentation for more details): "WAVE", "GEOM", "CTHM" ...
  For IRESO=4, the IRF file contains a list of HG and HL values versus 2theta.

October 2003

• new button in the toolbar: "Reset"

• a CIF viewer can be defined by the user in the winplotr.set setting file in the "! SYSTEM APPLICATIONS:" part. This CIF viewer is associated to CIF files (created by FullProf with RPA=-1) and allows to display crystal structure directly through a single click on the "view CIF" button. The authors strongly recommend the Mercury program for visualization of molecular crystal structure

• 'Calculation / data normalization' menu option has been added

September 2003

• fonts can be defined by the user in the "winplotr.set" setting file 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
  file 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 defined by the user in the "winplotr.set" setting file

• 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

June 2003

• Peaks positions can be saved for McMaille program (indexing powder patterns by Monte Carlo method, A. LeBail)
• The CFML tools are used in WinPLOTR:
  
  • . new profile fitting procedure, available for CWL data and TOF data
  • . "Tools menu" is added, leading to new crystallographic tools as "Space group info"

• A "Unit cell volume calculation" option has been added in the "Tools" menu

June 2003

• several TOF GSAS files can be displayed simultaneously

May 2003

• new general graphic file 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 files from Panalytical in previous version has been corrected.

April 2003

• Different 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. Different kinds of data file formats can be read and are discrimated from their respective extensions: *.UDF, *.CSV, *.JCP and *.XRDML.
  Don't forget to change the data file description in the winplotr.set setting file ("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 file with "_2THETACOUNTS" and "_2THETACPS"is corrected

• A "winplotr.pdf" file containing user's guide is distributed and can be read trought the WinPLOTR GUI (Help / User's guide / winplotr.pdf) if a PDF reader is defined in the winplotr.set setting file

• .XRDML data files from Panalytical diffractometers has been included. It has been associated to data file format number 18 (Xcelerator)

February 2003

• cosmetic changes in automatic plots

January 2003

• Small bugs have been fixed:
  • profile fitting with UXD file and CPD data
  • launching WinPLOTR through a command line for data file (Rietveld or Microstructural files 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 files created by the profile fitting procedure are now labelled as 'filename_pf.*"

December 2002

• WinPLOTR is now distributed through the FullProf_suite package containing several programs: FullProf, WinPLOTR, EdPcr, Gfourier ...

• Data file from ESRF multi analysers diffractometers (i.e.: ID31) has been included

November 2002

• IRF file (IRESO=4 format) can be defined in the "winplotr.set" through the "! MY IRF FILE (IRESO=4):"item

• small change in the "profile fitting parameters" dialog box: "create .IRF file / create .IPC file / no output file " radio button has been added.

• some system applications can be defined in the winplotr.set file, in the "! SYSTEM APPLICATIONS:" part:

    Browser          = "C:\Program Files\Netscape\Communicator\Program\netscape.exe"
    PostScriptViewer = "C:\Program Files\gstools\gsview\gsview32.exe"
    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 through the previously defined browser

• "Help / User's guide / FullProf manual" menu option: load the "fullprof_manual.pdf" file ('fullprof_directory\docs' folder) into the previously defined PDF reader

• "External applications / PostScript viewer" menu option: access to the Windows directories dialog box to select a PostScript file and view it with the previously defined PostScript viewer

• WinPLOTR web site can be accessed directly in the "Help" menu option, if a browser has been previously defined in the "winplotr.set" file.
• PostScript files can be viewed through a previously defined PostScript viewer ("External applications / PostScript viewer" menu option).

• 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 file name extension. In the case of .DAT files or .PRF files, the default corresponding formats can be defined in the "winplotr.set" file 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 file (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 define the Instrumental Resolution Function.
      

            number of parameters        profile function
            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 file in FullProf

    • '! DETERMINATION OF INTRINSIC PROFILE COMPONENTS:' leads to perform, at the end of a profile fitting procedure, a deconvolution from the instrumental part described just above. Output .IPC file (containing intrinsic profile and microstructural parameters) is created.

  • "Calculation / Read IRF file (IRESO=4)" menu option: IRF can be read in a file, containing a list of "2theta(°), HG(°), HL(°)" values, as for the IRESO=4 IRF file format in FullProf. This IRF file is then used after the fitting procedure to perform a microstructural analysis (HG_instr and HL_instr for the refined positions are calculated through a cubic-spline interpolation of HG_instr's and HL_instr's contained in the IRF file)

• profile fitted angular ranges are now graphically distinguish: they appear with a particular color after 'Calculation / reload data file' menu option. These angular ranges are treated as excluded regions. The default color for these ranges is grey (if not defined in the winplotr.set file through the "!EXCLUDED REGION COLOR:" item), but it can be changed in the 'Plot / excluded regions color' menu option.
  Excluded regions in PRF files 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 defined 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 file (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

• profile fitting can be followeg graphically during the fitting procedure

• PRF files with single crystal data containing flipping ratio refinements can be plotted

September 2002

• WTREOR90 version in the last package was bugged: it has been corrected
• the possibility to read a reflexion list from an external ASCII file has been included ('Text / Open reflexion file' menu option). Then, this file content is written as text over the pattern. The format of this file 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
   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 files (.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 modified by the user

• Profile fitting procedure: sub-profiles (peaks_n.xy) are now correctly calculated

• EdPCR, the new GUI for editing and modifying the PCR input files for FullProf, is now distributed 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:

                 - first argument corresponds to the format number (integer):
                    . format = 1,2 ... 18: diffraction pattern with format corresponding
                      to the list number in the "format dialog box" >
                       ex:
                         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 file (same order than in the
                      'Open microstructual file' section)
  
                 - second argument correspond to the data file name
                   ex:
                     > winplotr 101 fullprof_file.PRF
                     > winplotr   7 pbso4.dat
                

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

• a PRF button has been added in the toolbat to open and display a .PRF FullProf file

• the bug to display multipattern PRF file with NPAT>9 has been corrected

• the 'Text / display reflections list' option has been added: it is valid only for .PRF, .XRF file or after an automatic peak search. It allows to display and store the position list (in 2theta (deg.), d (A), Q (A-1), sinTheta/l (A-1)

• the 'Text / write reflexions text' is valid after the profile fitting procedure

• the 'Text font / (hkl) indices font' option is now valid after writing reflexions 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:
  . the reading *.WPL files procedure
  . display reflection positions

• multi-phases PRF files created by Jana2000 are now recognised

March 2002

• last version of Wfp2ks and fp2ks are included (previous one was bugged for PCR files containing distances and angles constraints)

• wavelengths supplied by the user in the "winplotr.set"file 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 file (created by FullProf) can now be read

• 'XRFIT.pik' file is created after the validation of the 'Profile fitting parameters' dialog box. This file is entirely compatible with the XRFIT DOS program. This old program is still useful for a cyclic profile fitting procedure, for example.

• 'Exit' tool has been included in the toolbar

• bug in the "save as multicolumns file" menu option has been corrected

• positions of reflexions can be displayed on Rietveld patterns plot: use the 'Text / Write reflexions text' menu option

January 2002

• some small bugs have been corrected

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

October 2001

• the number of user's defined programs has been extended to 12

• M' figure of merit is included in DICVOL, according to the NTREOR definition

• 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 file from X'Pert (Philips) diffractometer has been included

• the 'PRF file' format is removed from the data file list and is now only in the Rietveld file format list (!! change the data file list in your setting file !!

July 2001

• data file from X'celerator (Philips) diffractometer has been included

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

June 2001

• (hkl) reflexions can be displayed on Rietveld patterns plot: 'Write reflexions 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 file' menu option is now fixed

• Position of the files names can be specified by the user (Text / Legends positions)

April 2001

• The following bug has been fixed: the text have a microscopic size in the 'File / Print' procedure

• Linear fit of microstructural data can be performed

March 2001

• Rietveld profiles file created by Jana2000 (.PRF) has been included

• Bitmap files can be created

Feb 2001

• Plots for a microstructural analysis can be performed:
  - Williamson Hall: integral breath beta_star versus 1/d
  - Average size-strain: (beta_star/d_star)**2 versus b_star/d_star**2

• A Windows version of the ITO15 program (J. Visser) has been included in the WinPLOTR.zip package

• Data file .CPI created by POUDRIX (J. Laugier and B. Bochu) has been implemented

• Default version of FullProf is 'wfp2k.exe'

• some changed in the 'profile fitting' procedure of doublets have been performed:
  X-Rays Kalpha1 and Kalpha2 wavelengths can be defined by the user in the winplotr.set file by defining two new items in the 'winplotr.set' file:

     ! MY X-Rays WAVALENTHS (A):
        Kalpha1_wavelength Kalpha2_wavelength

December 2000

• Rietveld files created by Rietan2000 (.PAT) and Debvin (.GRA) Rietveld programs have been included

• IPL2=2 PRF Rietveld file created by FullProf has been included (IGOR format)

• Data file (.INT) for Rietan2000 has been included

• Positions and rotation of the legends texts can be defined by the user ('Text / Legends positions' menu option) and stored in the 'WinPLOTR.set' settings file

• Offset X and Y values can be defined for each pattern independently

November 2000

• Xray attenuation coefficient and total interaction cross sections have been included in the MENDEL.exe program

• CPI data file format has been included

• WinDICVOL and WinTREOR90: .CRY files as input files for CELREF, CHEKCELL are creating

October 2000

• Copy text to the clipboard can be realized in text windows

• Profile fitting 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 file is created, containaing HG and HL versus 2theta.

• the Windows calculator can be spawn through WinPLOTR

• fonts can be modified in the 'Text / text fonts' menu option

September 2000

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

July 2000

• The calculation of the FWHM from the Caglioti formula has been implemented (Calculation/FWHM(Caglioti) menu option)

• The number of user's defined editable files 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 file) has been corrected

• a bug has been corrected in the manual fit 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 2000

• some changes in the 'Save as TREOR input file' subroutine have been performed in order to interface the last TREOR Windows version: . first two lines are beginning with the '!' character . reflection intensity and background are stored

• a new TREOR windows version is distributed in the WinPLOTR.zip package: after successfull run, automatic generation of PCR input file for FullProf (profile matching mode)

• WinDICVOL window size and position can be defined in the 'windic.ini' settings file (stored in the directory associated to WinPLOTR through the WinPLOTR environment variable

March 2000

• new procedure to plot red selected reflexions and selected background points (it would be more rapid with very large of points in the data files - synchrotron data for example-)

• 'Help / WinPLOTR help file' menu option has been changed

• 'Select files' dialog box has been modified (bug with large number of data files

• ! EDIT FILES:' item in the 'WinPLOTR.set' file: definition of files (type + extension) that can be edited in the 'External applications / Edit a file' 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 PS and HPGL files have been corrected

• frame features can be modified by the user: line thickness, major and minor tics thickness and length

• bugs have been corrected in the creating/reading *.WPL files procedures

February 2000

• Fitting procedure from a PIK file can be performed with INSTRM=10 (with sigmas as third column) data files

January 2000

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

• small bugs have been corrected in the following options menus:
  
  • 'save as TREOR points' : inversion of the VOLmax and BETAmax items value
  • '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' file can be edited from WinPLOTR through the 'External applications / Edit a file / WinPLOT.set file' menu option

October 1999

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

     ! AFTER FULLPROF RUN:
       item_1  item_2
     !
    item_1: plot_prf     => the PRF file is plotted (default value)
            no_plot_prf  => the PRF file is not plotted
  
    item_2: edit_prf     => the PCR file is edited
            no_edit_prf  => the PRF file is not edited (default value) 

September 1999

• bugs have been corrected in the 'Calculation/Integration' and 'Calculation/Profile fitting' menu option of the previous WinPLOTR.

July 1999

• a new zoom and graduations routine has been implemented

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

• some bugs in the automatic peak search routine have been corrected.

June 1999

• bug in reading the INSTRM=4 data files (Brookhaven format) has been corrected

May 1999

• PRF files (single crystal data) can be displayed as a F2calc = f(F2obs) plot

• sorry for the last bad version of the INSTALL.exe: it has been corrected now

• The number of user's defined programs is extended to 10

• 'File / file Infos' menu option: displays in a text window some informations about data file

• '! MY DEFAULT FORMAT:' keyword in the WinPLOTR.set file allows to define the default data file format in the select format dialog box. If no default format has been defined, first format (X,Y format) will be taken as default format.

April 1999

• 'Plot / Reverse order' option

• user's DOS programs definition in the WinPLOTR.set file:
  the number of arguments accompagnying the relative DOS program can be specified in parenthesis at the end of the definition 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 files 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 file created by FULLPROF.

• Windows version of TREOR (WTREOR90.exe and the 'treor.ins' user's guide) are now included in the 'winplotr.zip' file and automatically installed with the 'INSTALL.exe' program.

• user's diffractometer resolution parameters can be defined in the 'winplotr.set' file, via the '! RESOLUTION PARAMETERS (U,V,W):' keyword in the winplotr.set

• 'save as multicolumns file' option: select X and Y columns to save for each file

March 1999

• 'Add / remove peaks' options are now available after an automatic background points search

• Windows version of FullProf (wfp98.exe and related files) is now included in the 'WinPLOTR.zip' file. Automatic installation of WinPLOTR and FullProf are realized by launching the INSTALL.exe program contained in the WinPLOTR.zip file.

• WinPLOTR is compatible with dispersive energy data

February 1999

• WinPLOTR is a GUI for TREOR program (Windows version):
  • save selected points as TREOR points to create an input file for TREOR
  • edit TREOR input file
  • run TREOR

• new tools in the toolbar after plot of PRF or XRF files: 'hkl-' and 'hkl+' buttons lead to display in a text window the features of the previous / next Bragg reflexion

• new tools in the toolbar after running the multipatterns version of FullProf: 'PRF-' and 'PRF+' buttons lead to plot previous / next PRF file

• WinPLOTR in now compatible with the FullProf multi-patterns version (Wmfp99.exe): You just have to change the appropriate item in the WinPLOTR.set file.

January 1999

• 'Plot / 3D lines' menu option
• small changes in some menus presentation:
  • 'options' menu: 'Background colors' menu option leads to the a new menu
  • 'text' menu: 'Text colors' menu option leads to the a new menu
  • 'External Applications': 'edit a file' menu option leads to a new menu
  • 'External Applications': 'Run user's programs' menu option leads to a new menu

• 'External Applications / Edit a file' new option menu

• INSTRM=11 data file format (data from variable time X-ray data collection) has been included (raw or normalised data)

• WinPLOTR can be used as a GUI for the SuperCELL program (search of commensurate supercell or incommensurate propagation vector)
  • 'Points selection / save as SUPERCELL points' option
  • 'External applications / edit .SAT file' option
  • 'External applications / run SUPERCELL' option
  • SuperCELL program name is stored in the WinPLOTR.set file in the '! RUN PROGRAMS:' section

• Help menu: 'Help Files' option as a switch to display or not help files in windows

• the INSTRM=9 data files are now correctly read

• ! HELP FILE:' keyword in the WinPLOTR.set file: display or not user's guide files in a window

• a new initilization routine has been implemented: I hope that the slowness appearing in the previous version (Reset or Run FullProf options) will desappear