| 查看: 847 | 回复: 8 | |||
| 当前主题已经存档。 | |||
| 当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖 | |||
[交流]
请高手指点几个CIF的几个A级错误
|
|||
|
EXPT005_ALERT_1_A _exptl_crystal_description is missing Crystal habit description. The following tests will not be performed. CRYSR_01 EXPT010_ALERT_1_A _exptl_crystal_colour (_pd_char_colour for powder) is missing Crystal colour. The following tests will not be performed. CRYSC_01 DENSX01_ALERT_1_A The ratio of the calculated to measured crystal density lies outside the range 0.80 <> 1.20 Calculated density = 1.515 Measured density = 0.000 PLAT093_ALERT_1_A No su's on H-atoms, but refinement reported as . mixed -------------------------------------------------------------------------------- |
回复此楼» 猜你喜欢
首都师范大学化学系田洋课题组专硕招调剂生
已经有10人回复
-
广州大学大湾区环境研究院环境大分子材料研究所王平山教授团队 2026年研究生招生简章
已经有0人回复
-
无机化学论文润色/翻译怎么收费?
已经有175人回复
-
天津理工大学
已经有0人回复
-
台州学院有序多孔材料团队最后冲刺，同学们别错过哦，请速联系！
已经有0人回复
-
江西科技师范大学物理化学课题组接收调剂生，名额还有，速来
已经有0人回复
-
求碳酸钠和碳酸氢钠的晶胞结构图或晶体结构图
已经有0人回复
-
求碳酸钠和碳酸氢钠的晶胞结构图或晶体结构图
已经有0人回复
5楼2008-09-11 09:47:40
★ ★
lingzi326(金币+2,VIP+0):感谢热心回复~~~
lingzi326(金币+2,VIP+0):感谢热心回复~~~
|
EXPT005_ALERT_1_A _exptl_crystal_description is missing Crystal habit description. The following tests will not be performed. CRYSR_01 EXPT010_ALERT_1_A _exptl_crystal_colour (_pd_char_colour for powder) is missing Crystal colour. The following tests will not be performed. CRYSC_01 自己填写即可! DENSX01_ALERT_1_A The ratio of the calculated to measured crystal density lies outside the range 0.80 <> 1.20 Calculated density = 1.515 Measured density = 0.000 按照检查结果修改CIF文件中的density即可! PLAT093_ALERT_1_A No su's on H-atoms, but refinement reported as . mixed 您加氢的时候可能用的都是理论加氢，但是mixed表示多种加氢方式共用，所以应将mixed改为geom |
2楼2008-09-06 14:45:34
|
EXPT010_ALERT_1_A _exptl_crystal_colour (_pd_char_colour for powder) is missing Crystal colour. The following tests will not be performed. CRYSC_01 这个已经填写了不知为什么还会这样？ DENSX01_ALERT_1_A The ratio of the calculated to measured crystal density lies outside the range 0.80 <> 1.20 Calculated density = 1.515 Measured density = 0.000 按照检查结果修改CIF文件中的density即可! 我随便试了一个这个范围的数据但是不行！ PLAT093_ALERT_1_A No su's on H-atoms, but refinement reported as . mixed 您加氢的时候可能用的都是理论加氢，但是mixed表示多种加氢方式共用，所以应将mixed改为geom 这个解决了！ 万分感谢哈！ |
3楼2008-09-08 20:47:58
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
4楼2008-09-09 08:56:43
