| 查看: 591 | 回复: 3 | |||
| 当前主题已经存档。 | |||
liuyupu132木虫 (正式写手)
|
[交流]
求解 A B 类错误
|
||
|
SHFSU01_ALERT_2_A The absolute value of parameter shift to su ratio > 0.20 Absolute value of the parameter shift to su ratio given 2.627 Additional refinement cycles may be required. SYMMG02_ALERT_1_A The _symmetry_equiv_pos_as_xyz values are inconsistent with the H-M symbol given From the CIF: _symmetry_equiv_pos_as_xyz x, y, z -x, y+1/2, -z -x, -y, -z x, -y-1/2, z These symops generate the Hall space group symbol -p_2yb From the CIF: _symmetry_space_group_name_H-M p21 From the xyz: _symmetry_space_group_name_H-M p_1_21/m_1 ALERT 4 symops in cif, 2 symops generated PLAT080_ALERT_2_A Maximum Shift/Error ............................ 2.63 PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for C2 PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for C4 PLAT242_ALERT_2_A Check Low Ueq as Compared to Neighbors for C3 PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C1 PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C5 PLAT341_ALERT_3_B Low Bond Precision on C-C Bonds (x 1000) Ang .. 28 |
回复此楼» 猜你喜欢
中南大学易小艺课题组诚招2026申请-考核制博士生
已经有0人回复
-
海南师范大学招收化学博士（光电功能材料课题组招收博士研究生）
已经有10人回复
-
无机化学论文润色/翻译怎么收费?
已经有109人回复
-
求助几个团簇的cif
已经有0人回复
-
急求该反应的详细机理
已经有4人回复
guangguang_1983
金虫 (小有名气)
- 应助: 0 (幼儿园)
- 金币: 1218.5
- 红花: 1
- 帖子: 75
- 在线: 6分钟
- 虫号: 455951
- 注册: 2007-11-10
- 专业: inorganic chemistry
2楼2009-11-14 17:12:00
xi2004
至尊木虫 (职业作家)
- CMEI: 10
- 应助: 125 (高中生)
- 金币: 16769.9
- 散金: 12393
- 红花: 221
- 帖子: 4161
- 在线: 436.9小时
- 虫号: 354550
- 注册: 2007-04-24
- 专业: 结构化学
3楼2009-11-14 17:16:27
sibuliaole
木虫 (正式写手)
- 应助: 0 (幼儿园)
- 金币: 3525.7
- 散金: 991
- 帖子: 452
- 在线: 101.8小时
- 虫号: 895757
- 注册: 2009-11-06
- 性别: GG
- 专业: 热力学
4楼2009-11-16 19:23:43