| 查看: 864 | 回复: 1 | ||
[求助]
求高人指点这些A类错误该如何解决 已有1人参与
|
|
PLAT211_ALERT_2_A ADP of Atom C40 is N.P.D. or (nearly) 2D ... Please Check PLAT213_ALERT_2_A Atom N1 has ADP max/min Ratio ..... 6.3 prolat PLAT213_ALERT_2_A Atom N3 has ADP max/min Ratio ..... 10.8 prolat PLAT222_ALERT_3_A Large Non-Solvent H Uiso(max)/Uiso(min) ... 10.0 Ratio PLAT234_ALERT_4_A Large Hirshfeld Difference O18 -- C39 .. 0.54 Ang. And 2 other PLAT234 Alerts PLAT234_ALERT_4_A Large Hirshfeld Difference N1 -- C31 .. 0.55 Ang. PLAT234_ALERT_4_A Large Hirshfeld Difference N1 -- C33 .. 0.46 Ang. PLAT241_ALERT_2_A High Ueq as Compared to Neighbors for ..... N1 Check PLAT241_ALERT_2_A High Ueq as Compared to Neighbors for ..... N3 Check Alert level B PLAT043_ALERT_1_B Calculated and Reported Mol. Weight Differ by .. 18.60 Check PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) Range 10.0 Ratio PLAT230_ALERT_2_B Hirshfeld Test Diff for O17 -- C31 .. 10.0 su And 2 other PLAT230 Alerts PLAT230_ALERT_2_B Hirshfeld Test Diff for N1 -- C34 .. 11.7 su PLAT230_ALERT_2_B Hirshfeld Test Diff for N3 -- C40 .. 9.5 su PLAT242_ALERT_2_B Low Ueq as Compared to Neighbors for ..... O18 Check And 2 other PLAT242 Alerts PLAT242_ALERT_2_B Low Ueq as Compared to Neighbors for ..... C31 Check PLAT242_ALERT_2_B Low Ueq as Compared to Neighbors for ..... C39 Check PLAT430_ALERT_2_B Short Inter D...A Contact O13 .. O16 .. 2.72 Ang. PLAT601_ALERT_2_B Structure Contains Solvent Accessible VOIDS of . 195 Ang3 其中第一个我尝试了ISOR 0.1 0.2 C40,还是没有解决。求高人指点,麻烦尽量详细点。 |
» 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236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5人回复
【Ei | Scopus 双检索】2026年智能交通与未来出行国际会议(CSTFM 2026)
已经有0人回复
【EI|Scopus 双检索】2026年第六届机器人与人工智能国际会议(JCRAI 2026)
已经有0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: 38467.5
- 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2015-07-14 21:33:31












回复此楼