应《网络安全法》要求，自2017年10月1日起，未进行实名认证将不得使用互联网跟帖服务。为保障您的帐号能够正常使用，请尽快对帐号进行手机号验证，感谢您的理解与支持！

24小时热门版块排行榜    

小木虫论坛-学术科研互动平台 » 材料区 » 晶体 » CIF专栏 » 【求助】C 类和G类错误求助[100金币]
51/1返回列表
查看: 908  |  回复: 3
只看楼主 @他人 存档 新回复提醒 (忽略) 收藏    在APP中查看
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

meiyingpan

银虫 (小有名气)

[交流] 【求助】C 类和G类错误求助[100金币]

晶体学报C的审稿意见，审稿人的意见是: "All alert C have to be clarified";
编辑的意见是: "in particular, please carefully review and respond to the alerts from the checkCIF/PLATON results."
请大牛们给帮忙解释一下.  checkCIF 的结果有C类也有G类,

Alert level C
STRVA01_ALERT_4_C Flack test results are meaningless.
From the CIF: _refine_ls_abs_structure_Flack 0.300
From the CIF: _refine_ls_abs_structure_Flack_su 0.900
PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 3.11 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for C15 -- C16 .. 5.39 su
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C12
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C1
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C3
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C21
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C22
PLAT331_ALERT_2_C Small Average Phenyl C-C Dist. C3 -C13 1.37 Ang.
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 7
PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 86.57 Perc.
PLAT024_ALERT_4_C Merging of Friedel Pairs is Indicated .......... !
PLAT032_ALERT_4_C Std. Uncertainty in Flack Parameter too High ... 0.90
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 2
C H4 O



Alert level G
REFLT03_ALERT_4_G ALERT: MoKa measured Friedel data cannot be used to
determine absolute structure in a light-atom
study EXCEPT under VERY special conditions.
It is preferred that Friedel data is merged in such cases.
From the CIF: _diffrn_reflns_theta_max 26.37
From the CIF: _reflns_number_total 6101
Count of symmetry unique reflns 3684
Completeness (_total/calc) 165.61%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 2417
Fraction of Friedel pairs measured 0.656
Are heavy atom types Z>Si present no
PLAT432_ALERT_2_G Short Inter X...Y Contact O12 .. C7 .. 2.98 Ang.
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 4
PLAT916_ALERT_2_G Hooft y and Flack x Parameter values differ by . 0.20
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 2
PLAT791_ALERT_4_G Note: The Model has Chirality at C1’ (Verify) R
PLAT791_ALERT_4_G Note: The Model has Chirality at C2’ (Verify) R
PLAT791_ALERT_4_G Note: The Model has Chirality at C3’ (Verify) R
PLAT791_ALERT_4_G Note: The Model has Chirality at C4’ (Verify) R
回复此楼

» 猜你喜欢

» 本主题相关价值贴推荐，对您同样有帮助:

» 抢金币啦！回帖就可以得到:

查看全部散金贴
1楼 2011-03-12 10:25:48
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

meiyingpan

银虫 (小有名气)
引用回帖:
Originally posted by xi2004 at 2011-03-12 11:34:10:
投哪里了？
麻烦了。

跟作晶体的老师讨论后，已经修回了。
谢谢你了！
赞一下 回复此楼
3楼2011-03-18 00:01:58
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖
查看全部 4 个回答

xi2004

至尊木虫 (职业作家)
投哪里了？
麻烦了。
赞一下 回复此楼
2楼2011-03-12 11:34:10
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

jwfu

至尊木虫 (文坛精英)
怎么样了？？？？？？
赞一下 回复此楼
4楼2011-03-18 08:21:20
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖
查看全部 4 个回答
普通表情 龙 兔 虎 猫 高级回复 (可上传附件)
最具人气热帖推荐 [查看全部] 作者 回/看 最后发表
[考研] 284求调剂 +6 Zhao anqi 2026-03-22 6/300 2026-03-23 09:23 by king123！
[考研] 一志愿东华大学化学070300，求调剂 +7 2117205181 2026-03-21 8/400 2026-03-22 22:55 by chixmc
[考研] 311求调剂 +6 冬十三 2026-03-18 6/300 2026-03-22 20:18 by edmund7
[考研] 307求调剂 +11 冷笙123 2026-03-17 11/550 2026-03-22 20:16 by edmund7
[考研] 315分，诚求调剂，材料与化工085600 +3 13756423260 2026-03-22 3/150 2026-03-22 20:11 by edmund7
[考研] 求调剂 +7 Auroracx 2026-03-22 7/350 2026-03-22 12:38 by 素颜倾城1988
[考研] 资源与环境 调剂申请(333分) +5 holy J 2026-03-21 5/250 2026-03-21 22:42 by Catalysis25
[基金申请] 学校已经提交到NSFC，还能修改吗？ 40+4 babangida 2026-03-19 9/450 2026-03-21 16:12 by babangida
[考研] 265求调剂 +12 梁梁校校 2026-03-19 14/700 2026-03-21 13:38 by lature00
[考研] 求调剂 +6 Mqqqqqq 2026-03-19 6/300 2026-03-21 08:04 by JourneyLucky
[考研] 083200学硕321分一志愿暨南大学求调剂 +3 innocenceF 2026-03-17 3/150 2026-03-21 02:35 by JourneyLucky
[考研] 材料专业求调剂 +6 hanamiko 2026-03-18 6/300 2026-03-21 00:24 by JourneyLucky
[考研] 274求调剂 +10 S.H1 2026-03-18 10/500 2026-03-20 23:51 by JourneyLucky
[考研] 288求调剂 +16 于海海海海 2026-03-19 16/800 2026-03-20 22:28 by JourneyLucky
[考研] 材料学硕297已过四六级求调剂推荐 +11 adaie 2026-03-19 11/550 2026-03-20 21:30 by laoshidan
[考研] 一志愿 南京航空航天大学大学 ，080500材料科学与工程学硕 +5 @taotao 2026-03-20 5/250 2026-03-20 20:16 by JourneyLucky
[考研] 一志愿南理工085701环境302求调剂院校 +3 葵梓卫队 2026-03-20 3/150 2026-03-20 19:28 by zhukairuo
[考研] 广西大学家禽遗传育种课题组2026年硕士招生（接收计算机专业调剂） +3 123阿标 2026-03-17 3/150 2026-03-20 15:58 by 飞行琦
[考研] 298-一志愿中国农业大学-求调剂 +9 手机用户 2026-03-17 9/450 2026-03-20 14:24 by 无懈可击111
[考研] 有没有道铁/土木的想调剂南林，给自己招师弟中～ +3 TqlXswl 2026-03-16 7/350 2026-03-17 15:23 by TqlXswl
信息提示
关闭
请填处理意见
关闭