| 查看: 437 | 回复: 3 | ||
| 当前主题已经存档。 | ||
maomao11259木虫 (小有名气)
|
[交流]
请教CIF check A级错误
|
|
|
021_ALERT_1_A Ratio Unique / Expected Reflections too High ... 5.26 The expected number of reflections corresponds to that in the asymmmetric unit of the Laue group. Expected ratio: less-or-equal 1 for centro symmetric structures and less than 2 for non-centrosymmetric structures. Reasons to exceed those numbers can be: 1 - Systematic extinctions not omitted from the obsd data count. 2 - Refinement with redundant (i.e. not merged/unique) data set. 请问，这个A级错误该怎么解决呢？ 谢谢！ |
回复此楼
2楼2007-09-19 14:00:11
alusia
金虫 (正式写手)
- 应助: 0 (幼儿园)
- 金币: 960.6
- 散金: 8
- 帖子: 962
- 在线: 6.2小时
- 虫号: 235501
- 注册: 2006-04-01
- 性别: GG
- 专业: 配位化学
3楼2007-09-20 19:52:13
maomao11259
木虫 (小有名气)
- 应助: 2 (幼儿园)
- 金币: 1955.3
- 散金: 10
- 红花: 2
- 帖子: 294
- 在线: 42.1小时
- 虫号: 289589
- 注册: 2006-10-22
- 专业: 配位化学
4楼2007-09-20 21:53:02