| 查看: 3689 | 回复: 2 | |||
魏连通银虫 (小有名气)
|
[求助]
晶体A类错误，怎么修改 已有2人参与
|
|
数据 Alert level A SYMM001_ALERT_1_A _symmetry_cell_setting is missing The cell setting should be one of the following * triclinic * monoclinic * orthorhombic * tetragonal * rhombohedral * trigonal * hexagonal * cubic The following tests will not be performed. SYMMS_01,SYMMS_02 EXPT005_ALERT_1_A _exptl_crystal_description is missing Crystal habit description. The following tests will not be performed. CRYSR_01 DIFF003_ALERT_1_A _diffrn_measurement_device_type is missing Diffractometer make and type. Replaces _diffrn_measurement_type. 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 1.607 Additional refinement cycles may be required. PLAT043_ALERT_1_A Calculated and Reported Mol. Weight Differ by .. 1367.00 Check PLAT051_ALERT_1_A Mu(calc) and Mu(CIF) Ratio Differs from 1.0 by . 59.02 % PLAT078_ALERT_1_A No H-atoms, but _solution_hydrogens reported as geom Check PLAT079_ALERT_1_A No H-atoms, but _hydrogen_treatment reported as mixed Check PLAT080_ALERT_2_A Maximum Shift/Error ............................ 1.61 Why ? PLAT122_ALERT_1_A No _symmetry_space_group_name_H-M Given ........ Please Do ! PLAT183_ALERT_1_A Missing _cell_measurement_reflns_used value .... Please Do ! PLAT184_ALERT_1_A Missing _cell_measurement_theta_min value ...... Please Do ! PLAT185_ALERT_1_A Missing _cell_measurement_theta_max value ...... Please Do ! PLAT602_ALERT_2_A VERY LARGE Solvent Accessible VOID(S) in Structure ! Info Alert level B PLAT035_ALERT_1_B _chemical_absolute_configuration info Not given Please Do ! PLAT094_ALERT_2_B Ratio of Maximum / Minimum Residual Density .... 6.19 Report PLAT306_ALERT_2_B Isolated Oxygen Atom (H-atoms Missing ?) ....... O6W Check PLAT306_ALERT_2_B Isolated Oxygen Atom (H-atoms Missing ?) ....... O8W Check |
回复此楼» 猜你喜欢
中南大学化学化工学院易小艺教授课题组招收2026级博士研究生（第二轮）
已经有0人回复
-
求助
已经有1人回复
-
无机化学论文润色/翻译怎么收费?
已经有57人回复
-
0703化学26考研调剂，一志愿南昌大学
已经有2人回复
-
有没有化学、材料专业的同学需要调剂 考虑天津高效的可以邮件或者私信
已经有1人回复
-
26年博士招生
已经有15人回复
-
江西理工大学功能晶态材料方向刘遂军课题组招收2026年秋季入学博士研究生
已经有10人回复
-
宁夏大学团簇新材料团队招收材料/化学/化工专业博士生
已经有0人回复
-
MIL-101有单晶样品吗
已经有0人回复
-
西北大学26年化学博士招生
已经有2人回复
wanggaoji
木虫 (正式写手)
- 应助: 96 (初中生)
- 金币: 1889.4
- 红花: 16
- 帖子: 411
- 在线: 225小时
- 虫号: 1387866
- 注册: 2011-09-02
- 专业: 磁共振成像技术与造影剂
2楼2015-12-09 12:17:00
jackdeng
专家顾问 (著名写手)
-
专家经验: +759 - 应助: 674 (博士)
- 贵宾: 0.125
- 金币: 42181
- 红花: 95
- 帖子: 2244
- 在线: 341.4小时
- 虫号: 117727
- 注册: 2005-11-26
- 性别: GG
- 专业: 无机化学
- 管辖: 晶体
3楼2015-12-09 13:04:34
