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Diamond中XRD图的数据怎么样用Origin做出来?
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| Diamond中XRD图的数据怎么样用Origin做出来?因为我没有某物相的标准图,但是我又想把它放在word里,和自己做出的图一起放在origin里,怎么弄啊?帮帮忙,谢谢了. |
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hobbyzhang
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2楼2009-04-09 13:31:13
hobbyzhang
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wujinyue(金币+3,VIP+0):不好意思,这个方法我知道,但是我想知道的是如何将Diamond中的数据导出来用ORIGIN作图 4-11 09:09
wujinyue(金币+3,VIP+0):不好意思,这个方法我知道,但是我想知道的是如何将Diamond中的数据导出来用ORIGIN作图 4-11 09:09
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mercury只要有CIF文件 就可以模拟 也可以导出数据 save 存成TXT格式的 orgin作图 大致的见图吧 mercury免费下载的你GOOGLE搜索哈就可以了 http://www.ccdc.cam.ac.uk/mercury/ 免费下载的   可以自己设置步长等参数  数据保存成TXT格式 以便于orgin作图  orgin作图 [ Last edited by hobbyzhang on 2009-4-9 at 13:40 ] |
3楼2009-04-09 13:39:21
4楼2009-04-09 22:03:17
5楼2009-04-10 15:42:51
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6楼2009-04-10 21:01:12
hobbyzhang
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wujinyue(金币+3,VIP+0):怎么说呢,真是辛苦你啦,谢谢! 4-14 08:33
wujinyue(金币+3,VIP+0):怎么说呢,真是辛苦你啦,谢谢! 4-14 08:33
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This command displays the powder diffraction pattern (which has been calculated automatically for the current crystal structure), as well as the reflection list. In addition to the "Powder Pattern" command from the "View" menu, you can also use the "Navigation bar" at the top of the working area, or alternatively click on the corresponding "leaf" in the "Navigation" tree (which itself can be displayed by selecting the corresponding command from the "View" menu or by pressing Reflection List Options You can sort the reflection list for each column, simply by clicking on the corresponding column header. You can print or copy the reflection list to the clipboard from its context menu (which can be opened by right-clicking in the reflection list). Besides this, you can save the reflection list in tabular form to a text file (*.csv, *.txt, *.prn) by selecting the "Save Table..." command from the context menu. In addition, it is also possible to export it to a peak data file (e.g. Stoe pks-file or Endeavour dif-file) or to a SHELX reflection file (*.hkl). This can be achieved by selecting the "Save Reflection Parameters..." command from the context menu. Diffraction Diagram Options You can print or copy the diffraction pattern to the clipboard from its context menu (which can be opened by right-clicking in the diffraction pattern). Zooming: If the diffraction pattern is in the (default) "zooming" mode (which can be selected from the "Mode" context menu), you can select a certain area of the pattern with your mouse (simply move to the left (lower) boundary you want to select, press the mouse button, and move to the right (upper) boundary of the area of which you want to see further details). Once you release the mouse button, only this area will be shown instead of the whole diffraction pattern. If you want to go back to the full pattern, please select the "Zoom out" command from the context menu. ALternatively, you can also go back to the previous zoom by selecting the corresponding command from the context menu. Tracking: In this mode (which can be activated in the "Mode" context menu), you can zoom and move through the diffraction pattern at the same time, as long as you keep the mouse button pressed. A mouse movement up or down enlarges or diminishes the scaling factor, while a mouse movement to the left or right will scroll through the pattern. Thus, you can easily move to an interesting part of the diffraction pattern and zoom into its details at the same time with a single mouse operation. Wavelength: Here, you can enter the wavelength of the X-ray radiation that is used for the calculation of the powder diffraction pattern. Once you have entered or selected the wavelength of the radiation, please press 2theta-min: You can define a lower 2theta limit for the calculation of the peaks/reflections (in Å  . Once you have modified this value, please press 2theta-max: You can define an upper 2theta limit for the calculation of the peaks/reflections (in Å . This is generally useful for short wavelengths and/or large unit cells in order to reduce the calculation time. Once you have modified this value, please press Powder Pattern Settings...: Pressing this button opens the "Powder Pattern Settings" dialog in which you can define the radiation type, the wavelength, the Lorentz-Polarization correction, the 2theta limits, and the profile parameters (e.g. FWHM). Diagram Settings...: Pressing this button opens the "Diagram Settings" dialog in which you can define the units of the x- and y-axis of the diffraction pattern, the scaling, the colors used in the diagram etc. 如果你非要用Diamond的话 那就看看上面的吧 |
7楼2009-04-11 09:35:40