| 查看: 1667 | 回复: 3 | ||
司桂福木虫 (小有名气)
|
[求助]
解晶体时出现了A和B类错误，因为自己是菜鸟，所以请求大神帮忙。两个晶体的已有1人参与
|
|
A: EXPT005_ALERT_1_A _exptl_crystal_description is missing Crystal habit description. The following tests will not be performed. CRYSR_01 EXPT009_ALERT_1_A No crystal dimensions have been given. The following tests will not be performed. CRYSS_01,CRYSS_02 EXPT108_ALERT_1_A The magnitudes of the crystal dimensions do not match the min, mid and max definitions 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 ABSMU01_ALERT_1_A The ratio of given/expected absorption coefficient lies outside the range 0.90 1.10 Calculated value of mu = 3.283 Value of mu given = 1.678 DENSD01_ALERT_1_A The ratio of the submitted crystal density and that calculated from the formula is outside the range 0.90 1.10 Crystal density given = 1.264 Calculated crystal density = 1.549 DENSX01_ALERT_1_A The ratio of the calculated to measured crystal density lies outside the range 0.80 1.20 Calculated density = 1.264 Measured density = 0.000 PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.879 Note PLAT044_ALERT_1_A Calculated and Reported Density Dx Differ by .. 0.2150 Check PLAT046_ALERT_1_A Reported Z, MW and D(calc) are Inconsistent .... 1.549 PLAT051_ALERT_1_A Mu(calc) and Mu(CIF) Ratio Differs from 1.0 by . 95.52 % 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 Alert level B PLAT043_ALERT_1_B Calculated and Reported Mol. Weight Differ by .. 26.23 Check B: EXPT005_ALERT_1_A _exptl_crystal_description is missing Crystal habit description. The following tests will not be performed. CRYSR_01 EXPT009_ALERT_1_A No crystal dimensions have been given. The following tests will not be performed. CRYSS_01,CRYSS_02 EXPT108_ALERT_1_A The magnitudes of the crystal dimensions do not match the min, mid and max definitions 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 PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.882 Note 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 Alert level B CHEMW03_ALERT_2_B WARNING: The ratio of given/expected molecular weight as calculated from the _atom_site* data lies outside the range 0.95 1.05 From the CIF: _cell_formula_units_Z 2 From the CIF: _chemical_formula_weight 638.38 TEST: Calculate formula weight from _atom_site_* atom mass num sum C 12.01 29.00 348.32 H 1.01 0.00 0.00 O 16.00 6.00 95.99 Br 79.90 2.00 159.81 Calculated formula weight 604.12 PLAT043_ALERT_1_B Calculated and Reported Mol. Weight Differ by .. 34.29 Check PLAT044_ALERT_1_B Calculated and Reported Density Dx Differ by .. 0.0826 Check check时出现这句话，红色字体！！！！  QQ截图20150105080921.jpg |
回复此楼» 猜你喜欢
MOF合成
已经有0人回复
-
请问各位大佬ACS投稿状态这样是成功了吗？
已经有6人回复
-
无机化学论文润色/翻译怎么收费?
已经有145人回复
» 本主题相关价值贴推荐，对您同样有帮助:
AB错误修改，急求大神帮忙！！！
已经有4人回复- 新手求大神给解决几个A类错误
已经有9人回复
- 初学者仿了一个一维光子晶体，一直有错误，请大神们帮忙解释一下
已经有4人回复
- 本人是新手（完全处于刚刚接触阶段），下面自己解的晶体A类错误不会改，求帮助。谢谢
已经有4人回复
匿名
用户注销 (知名作家)
精修问题可私信
- CMEI: 2
- 应助: 2712 (讲师)
- 贵宾: 0.836
- 金币: 38463.5
- 散金: 1801
- 红花: 400
- 帖子: 5825
- 在线: 1932.4小时
- 虫号: 0
- 注册: 2008-10-05
- 性别: GG
- 专业: 药物分析
- 管辖: 晶体
2楼2015-01-05 08:30:39
司桂福
木虫 (小有名气)
- 应助: 0 (幼儿园)
- 金币: 1771.6
- 散金: 37
- 红花: 1
- 帖子: 112
- 在线: 102.4小时
- 虫号: 1213055
- 注册: 2011-02-25
- 性别: GG
- 专业: 高分子合成化学
3楼2015-01-05 14:24:09
匿名
用户注销 (知名作家)
精修问题可私信
- CMEI: 2
- 应助: 2712 (讲师)
- 贵宾: 0.836
- 金币: 38463.5
- 散金: 1801
- 红花: 400
- 帖子: 5825
- 在线: 1932.4小时
- 虫号: 0
- 注册: 2008-10-05
- 性别: GG
- 专业: 药物分析
- 管辖: 晶体
4楼2015-01-05 14:35:40