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1、written by Xiangyun Qiu email xiangyun pa msu edu Simon Billinge email billinge pa msu edu Department of Physics and Astronomy Michigan State University East Lansing Michigan 48824 2320 USA Document created July 22 2004 Preface PDFgetX2 Software License Agreement By downloading and installing a copy
2、 of the PDFgetX2 Software and Documentation you agree to the following terms Notifi cation of Copyright PDFgetX2 is a proprietary product of Michigan State University MSU and is protected by copyright laws and international treaty You as End User must treat PDFgetX2 like any other copyrighted materi
3、als Copyright laws prohibit making copies of the Software for any reason You may make copies of the Documentation for use with a licensed version of the Software however MSU notifi cations of copyright must be left intact If you have any questions concerning this agreement please contact the Copyrig
4、ht Licensing Offi ce MSU East Lansing Michigan 48824 U S A 517 355 2186 License MSU grants End User the royalty free non exclusive non transferable right to use PDFgetX2 software for research or educational purposes You may not redistribute transfer rent lease sell lend sub license prepare derivativ
5、e works decompile or reverse engineer the PDFgetX2 Software without prior express written consent of MSU at the above address MSU retains title to PDFgetX2 including without limitation the Software and Documentation End User agrees to use reasonable efforts to protect the Software and Documentation
6、from unauthorized use reproduction distribution or publication All rights not specifi cally granted in this Agreement are reserved by MSU Warranty PDFgetX2 Software and Documentation are provided as is MSU MAKES NO WAR RANTY EXPRESSORIMPLIED TOENDUSERORTOANYOTHERPERSONORENTITY SPECIF ICALLY MSU MAKE
7、S NO WARRANTY OF MERCHANTABILITY OR FITNESS FOR A PARTICU LAR PURPOSE OF PDFGETX2 SOFTWARE OR DOCUMENTATION MSU WILL NOT BE LIABLE FOR SPECIAL INCIDENTAL CONSEQUENTIAL INDIRECT OR OTHER SIMILAR DAMAGES EVENIF MSU OR ITS EMPLOYEESHAVEBEENADVISEDOF THE POSSIBILITYOF SUCHDAM AGES IN NO EVENT WILL MSU L
8、IABILITY FOR ANY DAMAGES TO END USER OR ANY PER SON EVER EXCEED THE FEE PAID FOR THE LICENSE TO USE THE SOFTWARE REGARDLESS OF THE FORM OF THE CLAIM General If any provision of this Agreement is unlawful void or for any reason unenforceable it shall be deemed severable from and shall in no way affec
9、t the validity or enforceability of the remaining provisions of this Agreement This Agreement shall be governed by Michigan law PDFgetX2 v1 0Page 1 Contents 1Introduction6 1 1What is PDFgetX2 6 1 2What is new 7 1 2 1Version 1 0 7 1 2 2Beta release 7 1 3Using PDFgetX2 7 1 4Using this manual 8 1 5Ackn
10、owledgments 8 2Quick Start Tutorial9 2 1Installation and start up 9 2 2Copy tutorial data 10 2 2 1Description of the tutorial experiment 10 2 3Preprocess SPEC format data 10 2 3 1Objective 10 2 3 2 Load SPEC data fi le 11 2 3 3Overview of scans information 12 2 3 4Set up SPEC columns 13 2 3 5Set up
11、dead time correction 14 2 3 6Set up detector s merging 15 2 3 7Actions and visualization 15 2 3 8Save merged data and the history 17 2 4Get X ray PDF 17 2 4 1Objective 17 2 4 2Setup working directory 18 2 4 3 Input data fi les 20 2 4 4Experiment setup 20 2 4 5Sample information 21 2 4 6Set up correc
12、tions 21 PDFgetX2 v1 0Page 2 CONTENTSUsers Guide 2 4 7Set up corrections 22 2 4 8Set up transformation 23 2 4 9Process X ray data 24 2 4 10 Data visualization 25 2 4 11 History fi les and data saving 26 3GUI Widgets Reference27 3 1Preprocess the SPEC format data 27 3 1 1The top row 27 3 1 2List of s
13、cans information in SPEC data 28 3 1 3Set up SPEC column assignments 28 3 1 4Set up dead time correction 29 3 1 5Set up detector s merging 29 3 1 6Actions and visualization 30 3 2Get X ray PDF 30 3 2 1 Input data fi les 31 3 2 2Experimental setup 32 3 2 3Sample information 33 3 2 4Set up corrections
14、 36 3 2 5Set up transformation 36 3 2 6Data processing and visualization 36 AInstallation and Start up37 A 1Obtain PDFgetX2 and IDL 37 A 2How to install 37 A 2 1Linux UNIX system 37 A 2 2Windows 39 A 2 3Others 40 A 3How to start 40 A 3 1Linux UNIX system 41 A 3 2Windows 41 A 3 3Others 41 A 4Report p
15、roblems and suggestions 41 BSupported File Formats42 B 1 SPEC fi le format 42 B 2n m ASCII format 43 B 3 CHI fi le format 43 C PDFgetX2 History File44 PDFgetX2 v1 0Page 3 List of Figures 2 1The welcome interface when starting PDFgetX2 9 2 2Click the Preprocess SPEC Format Data button to switch to th
16、e GUI in Fig 2 3 11 2 3The main preprocess SPEC format data GUI 12 2 4The GUI portion displaying scans information in the SPEC data 13 2 5The GUI section to set up SPEC columns 14 2 6The GUI to set up dead time corrections for monitor left and detector columns right 15 2 7The GUI section to plot save data and process data 16 2 8Visualization of the raw SPEC data left and the corrected SPEC data right 17 2 9Visualization of the merged data obtained from preprocess SPEC format data 18 2 10 Click t
