1 | <html> |
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3 | <META NAME="Author" CONTENT="Brian H. Toby"> |
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4 | <title>Intro to EXPGUI |
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5 | </title> |
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6 | </head> |
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7 | <BODY BGCOLOR="#FFFFFF"> |
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8 | |
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9 | <A HREF=http://www.ncnr.nist.gov> |
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10 | <IMG SRC="http://www.ncnr.nist.gov/images/ncnrtrans.gif" |
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11 | alt="Link to NIST Center for Neutron Research home page" |
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12 | ALIGN=RIGHT></A> |
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13 | <A HREF=http://www.nist.gov> |
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14 | <IMG SRC="http://www.ncnr.nist.gov/images/webidblue_2lineright.gif" |
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15 | alt="Link to National Institute of Standards & Technology home page" |
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16 | ALIGN=LEFT></A> |
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17 | <CENTER> |
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18 | <A Href="http://www.ncnr.nist.gov/programs/crystallography/software/tclpkgs.html"> |
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19 | <IMG SRC="tcltklogo100.gif" |
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20 | alt="Link to Tcl/Tk information"> |
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21 | </CENTER></A> |
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22 | <hr> |
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23 | |
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24 | <center> |
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25 | <h1> |
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26 | Intro to EXPGUI</h1></center> |
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27 | <P> |
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28 | <B>What is EXPGUI?</B><P> |
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29 | <blockquote> |
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30 | EXPGUI is a graphical user interface (GUI) editor for |
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31 | <A Href="http://www.ncnr.nist.gov/programs/crystallography/software/gsas.html"> |
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32 | GSAS</A> |
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33 | experiment (.EXP) files and shell which allows all the other GSAS programs |
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34 | to be executed with a GUI. |
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35 | EXPGUI is not a replacement for the GSAS program EXPEDT. |
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36 | EXPGUI can do at best 10% of what |
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37 | EXPEDT can do -- but that 10% covers most of the |
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38 | actions that I use frequently (and that I could code without a major effort). |
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39 | </blockquote> |
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40 | |
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41 | <p><br><B>Is there documentation?</B> |
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42 | <blockquote>Some. There is: |
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43 | <UL> |
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44 | <LI> |
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45 | <A HREF="expgui.html"> |
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46 | A User's Guide</A>, complete with lots of pictures |
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47 | <LI> |
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48 | <A HREF="expgui_Win_readme.html"> |
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49 | Installation notes for Windows</A> |
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50 | <LI> |
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51 | <A HREF="expgui_Unix_readme.html"> |
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52 | Installation notes for UNIX</A> |
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53 | <LI> |
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54 | <A HREF="expgui_cfg.html"> |
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55 | Customization notes</A> |
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56 | <LI> |
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57 | <A HREF="tutorial1/index.html"> |
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58 | A TOF Tutorial Example (Nickel)</A> |
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59 | <LI> |
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60 | <A HREF="tutorial2/index.html"> |
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61 | A CW Neutron Tutorial Example (Garnet)</A> |
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62 | </UL> |
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63 | Contributions of additional documents or improvements to existing |
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64 | documentation is greatly encouraged. |
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65 | </blockquote> |
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66 | |
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67 | <P><B>So what can EXPGUI do?</B> |
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68 | <blockquote> |
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69 | <dt> |
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70 | <i>Phase parameters</i>: EXPGUI can edit the cell and atomic parameters |
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71 | as well as the cell and atomic damping and refinement flags.</dt> |
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72 | |
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73 | <dt> |
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74 | <i>Histogram parameters</i>: Scale factor, background, diffractometer constants, |
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75 | phase fractions, profile terms can all be changed.</dt> |
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76 | |
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77 | <dt> |
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78 | <i>Least-Squares options:</i> control the number of cycles, the print options |
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79 | and F<sub>obs</sub> extraction parameters.</dt> |
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80 | |
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81 | <dt> |
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82 | <IMG SRC="note.gif"> |
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83 | Creating new .EXP files and adding phases, histograms and atoms |
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84 | (EXPGUI version 1.17 and later).</dt> |
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85 | |
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86 | <dt> |
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87 | <IMG SRC="new.gif" HEIGHT=13 WIDTH=36> |
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88 | Editing and creating [hard] constraints on atomic parameters. |
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89 | Create and edit March-Dollase Preferred Orientation parameters. |
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90 | </dt> |
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91 | |
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92 | </blockquote> |
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93 | |
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94 | <p><br><B>So what can't EXPGUI do?</B> |
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95 | <blockquote>Much more than it can do. At this time, EXPGUI can't |
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96 | delete atoms or change their type. |
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97 | It cannot create or edit soft constraints |
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98 | or hard constraints, other than atomic constraints. It cannot be used on |
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99 | magnetic scattering parameters or on single-crystal histograms. It can't |
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100 | even change the profile function number. It also can't change the |
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101 | excluded data regions. |
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102 | <p>I hope to add some of these capabilities in the future, but EXPEDT is |
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103 | a huge program and it is unlikely that anyone will replace it any time |
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104 | soon. I will consider adding more functionality if requested and the job |
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105 | is reasonably tractable. |
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106 | </blockquote> |
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107 | |
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108 | <p><br><B>What type of computers will EXPGUI run on?</B> |
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109 | <blockquote>EXPGUI requires Tcl/Tk. While that is somewhat restrictive, |
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110 | it still means that EXPGUI will run on many more platforms than GSAS does. |
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111 | Most of the development has been done in LINUX with some testing on SGI |
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112 | and Windows-95 systems. I expect that EXPGUI will run on all platforms |
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113 | where GSAS does (except perhaps VMS).</blockquote> |
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114 | |
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115 | <p><br><B>Who is to blame for EXPGUI?</B> |
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116 | <blockquote>The initial version of the GUI part of EXPGUI was created by |
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117 | Jonathan Wasserman (thanks Jon!) <a href="http://www.ncnr.nist.gov/staff/toby/">Brian |
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118 | Toby</a> is irresponsible for the rest.</blockquote> |
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119 | |
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120 | <p><br><B>EXPGUI would be much more of use to me if....</B> |
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121 | <blockquote>Gee, you want to add some features... Great! You have all the |
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122 | EXPGUI sources and Tcl/Tk is free. Oh, you want me to do it. Well, I might |
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123 | get to it if you ask, particularly if you help. |
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124 | I am looking for good ideas on how to design GUI's |
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125 | for different aspects of experiment editing, |
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126 | with an attractive, intuitive and compact GUI.</blockquote> |
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127 | |
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128 | <p><br><B>Mailing List</B> |
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129 | <blockquote>If you would like to get news about EXPGUI, please send |
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130 | <a href="mailto:brian.toby@nist.gov?subject=EXPGUI Mailing List">Brian.Toby@NIST.GOV</a> e-mail and I |
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131 | will send you information about updates and bug fixes. |
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132 | Having lots of users might also help me justify this project to my |
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133 | employers. |
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134 | </blockquote> |
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135 | |
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136 | <p><br><B>A picture</B> |
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137 | <img SRC="2s.gif" align=top |
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138 | alt="example picture of the EXPGUI interface"> |
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139 | |
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140 | <hr WIDTH="100%"> |
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141 | <p>Neither the author nor the U.S. Government makes any warranty, expressed |
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142 | or implied, or assumes any liability or |
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143 | responsibility for the use of this information or the software described |
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144 | here. Brand names cited here are used for |
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145 | identification purposes and do not constitute an endorsement by NIST. |
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146 | <p><a href="http://www.ncnr.nist.gov/staff/toby/">Brian Toby</a> (<a href="mailto:brian.toby@nist.gov">Brian.Toby@NIST.GOV</a>) |
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147 | <br>$Revision: 214 $ $Date: 2009-12-04 23:02:18 +0000 (Fri, 04 Dec 2009) $ |
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148 | </body> |
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149 | </html> |
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