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Readme.txt
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AutoFP is an auto tools for FullProf Rietveld refinement released under GPL v3 LICENSE.
AutoFP (http://physiworld.sinaapp.com/autofp.html)
Authors: Xiaopeng Cui, etc
Email: [email protected]
Shanghai University, Department of Physics
English version
Dependence:
OS platforms:
Windows XP,Windows 7 ,Windows 8, Windows 10
Dependence library (already packaged in AutoFP):
diffpy/SrRietveld/PyFullProf http://www.diffpy.org/doc/srrietveld/
python2.7 https://www.python.org/download/releases/2.7/
pyqt4 http://www.riverbankcomputing.com/software/pyqt/download
numpy http://www.scipy.org/scipylib/download.html
matplotlib http://matplotlib.org/
Refinement Software
FullProf http://www.ill.eu/sites/fullprof/
How to use AutoFP:
steps:
Launch AutoFP
select "Auto" tab
click "open" or drag PCR file to the UI to open the PCR file
click "autoselect" button to select the refinement parameters automatically
"cycle=0" represent auto-select the cycles number;
"cycle=n>0" represent run n cycles
click "run" button to autorun the refinement
Attention :
1. how to make PCR file:
Please use FullProf to make right PCR file,AutoFP need a PCR file a DAT file, please ensure they have the same filename,
such as Y2O3.pcr,Y2O3.dat.
Pleae put them in a empty folder which is easy to control.
2. About examples:
examples are in the folder(such as C:\Program Files(x86)\AutoFP\AutoFP), example.zip
example instrution: example.txt
3. Video of AutoFP Demo(http://pmedia.shu.edu.cn/autofp/document.html)
the Demo of PbSO4 refinement with AutoFP PbSO4 Neutron CW Demo
the Demo of Y2O3 refinement with AutoFP Y2O3 Xray Demo
Chinese version
程序依赖:
运行平台:
Windows XP,Windows 7 ,Windows 8
依赖库(已经打包于程序内,无需额外安装):
python2.7 https://www.python.org/download/releases/2.7/
pyqt4 http://www.riverbankcomputing.com/software/pyqt/download
numpy http://www.scipy.org/scipylib/download.html
matplotlib
diffpy
精修软件
FullProf http://www.ill.eu/sites/fullprof/
程序使用说明:
启动 AutoFP
选择 Auto 标签页
open 按钮 打开pcr文件
autoselect 按钮自动选择精修参数
点击run按钮 自动精修
附加说明:
1.PCR文件制作:
请使用FullProf制作出正确PCR文件,本程序运行需要PCR文件和DAT文件,请确保二者文件名 相同,如Y2O3.pcr,Y2O3.dat。 请将二者置于一个空文件夹下,便于程序控制,另外请确保
文件路径名不包含中文,否则程序不能打开PCR文件。
2. 例子说明:
例子在程序文件夹(如C:\Program Files(x86)\AutoFP\)目录下 example.zip
例子说明 example.txt
目前所有例子精修结果均已达到Fullprof原始例子水平