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Fullprof 精修 中atoms information 怎么填写

fullProf 精修中atom information 怎么填写?
Fullprof 精修 中atoms information 怎么填写
1507543240(1).pngjackdeng

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如图,各个参数都代表原子的什么信息啊?

L:它叫什么名字
N:它是谁
X、Y、Z:它的坐标
B:atomic displacement factor/thermal factor
Occ:占有率
therm. fact. :热因子是“各向同性”/“各向异性”
https://mp.weixin.qq.com/s?__biz=MzIwNDk2MjAzOA==&mid=2247483938&idx=1&sn=c24c59f20ba548a42757ba0e2ff811ae&chksm=973963bba04eeaad3ad913265d5a15dcbda7e50c06164b5c7a475b069b72bebb8018671f6d8a#rd

L:Identification characters for atom or object.
N:Link to scattering data of the atom:  chemical symbol and valence to access internal table (use only upper case letters).
X、Y、Z:Fractional atomic coordinates
B:Isotropic displacement (temperature) parameter in Å2
Occ:Occupation number i.e. chemical occupancy × site multiplicity (can be normalised to the multiplicity of the general position of the group).

我第一次使用润色服务选择的是朋友推荐的专业君论文,是因为一篇文章因为语言问题被Lippincott Williams & Wilkins出版社的reviewer退稿两次(Clinical Nuclear Medicine; 影响因子 3点多)。专业君给了我9折优惠,报价后觉得很划算所以抱着试试的态度找上专业君来协助英文润色,编辑过程中,服务的速度及主动性让我很满意。修改完成后我对其中一些内容有疑问,通过编稿后免费答疑也很快有来自编辑的回应及解答。最后文章也顺利被接收。大谢!

可以从已有的cif文件导入

4楼: Originally posted by gyliu at 2017-10-10 10:00:52
L:Identification characters for atom or object.
N:Link to scattering data of the atom:  chemical symbol and valence to access internal table (use only upper case letters).
X、Y、Z:Fractional ato ...
5

4楼: Originally posted by gyliu at 2017-10-10 10:00:52
L:Identification characters for atom or object.
N:Link to scattering data of the atom:  chemical symbol and valence to access internal table (use only upper case letters).
X、Y、Z:Fractional ato ...
谢谢哈:hand:

4楼: Originally posted by gyliu at 2017-10-10 10:00:52
L:Identification characters for atom or object.
N:Link to scattering data of the atom:  chemical symbol and valence to access internal table (use only upper case letters).
X、Y、Z:Fractional ato ...
谢谢哈!非常感谢

3楼: Originally posted by Phys_Xu at 2017-10-09 18:29:45
L:它叫什么名字
N:它是谁
X、Y、Z:它的坐标
B:atomic displacement factor/thermal factor
Occ:占有率
therm. fact. :热因子是“各向同性”/“各向异性”
https://mp.weixin.qq.com/s?__biz=MzIwNDk2Mj ...
解释的超清楚,谢谢您:hand:

5楼: Originally posted by 598878157 at 2017-10-10 10:30:40
可以从已有的cif文件导入
谢谢啦,我的是非标物质,找不到cif文件,是不是就精修不了了?

3楼: Originally posted by Phys_Xu at 2017-10-09 18:29:45
L:它叫什么名字
N:它是谁
X、Y、Z:它的坐标
B:atomic displacement factor/thermal factor
Occ:占有率
therm. fact. :热因子是“各向同性”/“各向异性”
https://mp.weixin.qq.com/s?__biz=MzIwNDk2Mj ...
我的是非标物质,没有cif文件是不是精修不了了,

10楼: Originally posted by 紫晴 at 2017-10-10 23:21:32
谢谢啦,我的是非标物质,找不到cif文件,是不是就精修不了了?
...
看看能不能找到同晶型的结构数据

12楼: Originally posted by gyliu at 2017-10-11 10:38:32
看看能不能找到同晶型的结构数据...
同晶型是不是空间群一样,都属于一个晶系

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