小木虫 --- 600万学术达人喜爱的学术科研平台
热门搜索：
&&求助精修cif数据及解决文件当中的A类B类C类错误
求助精修cif数据及解决文件当中的A类B类C类错误
求助:我是新学合成单晶的新手，找人解析的单晶数据还有一些错误没有处理，我自己不会解析，导师也不是做配合物方向的也不懂晶体解析，所以来这里求助高手来了。我的cif文件提示的错误如下，请教高手帮忙解析下，不知道有没有人愿意帮忙的呢？O(∩_∩)O谢谢
Alert level A
PLAT122_ALERT_1_A No _symmetry_space_group_name_H-M Given ........ Please Do !
Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for C22 -- C23 .. 7.2 su
Alert level C
PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ Please Check
PLAT052_ALERT_1_C Info on Absorption Correction Method Not Given . Please Do !
PLAT053_ALERT_1_C Minimum Crystal Dimension Missing (or Error) ... Please Check
PLAT054_ALERT_1_C Medium Crystal Dimension Missing (or Error) ... Please Check
PLAT055_ALERT_1_C Maximum Crystal Dimension Missing (or Error) ... Please Check
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) Range 3.1 Ratio
PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0073 Ang.
PLAT420_ALERT_2_C D-H Without Acceptor N6 - H6A ... Please Check
PLAT420_ALERT_2_C D-H Without Acceptor N7 - H7B ... Please Check
晶体参数如下，我分不清数据是好是坏
Cell: a=30.430(6) b=11.720(2) c=18.500(4)
alpha=90 beta=115.05(3) gamma=90
Temperature:&&173 K
Calculated Reported
Volume 77(2)
Space group C 2/c&&?
Hall group -C 2yc&&?
Moiety formula C64 H52 Cu2 N12 O9 ?
Sum formula C64 H52 Cu2 N12 O9 C64 H52 Cl0 Cu2 N12 O9
Dx,g cm-3 1.401 1.400
Mu (mm-1) 0.780 0.780
F000’ 2603.49
h,k,lmax 36,13,21 35,13,21
Correction method= Not given
Data completeness= 0.991 Theta(max)= 25.000
R(reflections)= 0.)& && && && && && &wR2(reflections)= 0.)
S = 1.067&&& && && && && && && && && && && && && && && &Npar= Npar = 393
可以请教你帮忙弄下吗， 我自己不会添加，
学术必备与600万学术达人在线互动！
扫描下载送金币扫二维码下载作业帮
拍照搜题，秒出答案，一键查看所有搜题记录
下载作业帮安装包
扫二维码下载作业帮
拍照搜题，秒出答案，一键查看所有搜题记录
（2007o石家庄）下列现象不属于遗传的是（　　）A．子女的一些性状跟他们的父母相似B．小羊和小牛吃同种草，小羊长成大羊，小牛长大牛C．子女与父母之间，在相貌上有些差异D．种瓜得瓜，种豆得豆
爱在那里92
扫二维码下载作业帮
拍照搜题，秒出答案，一键查看所有搜题记录
选项中“子女的一些性状跟他们的父母相似”、“种瓜得瓜，种豆得豆”、“小羊和小牛吃同种草，小羊长成大羊，小牛长大牛”都说明了生物的亲子代之间在性状上的相似性，是生物的遗传现象；而“子女与父母之间，在相貌上有些差异”是亲代与子代之间在性状上的差异属于变异现象，因此不属于遗传现象．故选C
为您推荐：
生物体的形态特征、生理特征和行为方式叫做性状，生物的性状传给后代的现象叫遗传；生物的亲代与子代之间以及子代的个体之间在性状上的差异叫变异．
本题考点：
生物的遗传和变异现象；生物的变异．
考点点评：
此题考查了生物的遗传和变异现象，需要注意的是生物学上的遗传和变异指的是亲子代之间在性状方面的相似性或差异性
扫描下载二维码小木虫 --- 600万学术达人喜爱的学术科研平台
热门搜索：
&&checkcif检查出来有A,B,C,G类错误
checkcif检查出来有A,B,C,G类错误
本人初做晶体，最近做出来一个晶体拿去检查cif文件时，出现A,B,C和G类错误，请高手指点！
Alert level A
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 2.749
Additional refinement cycles may be required.
PLAT043_ALERT_1_A Calculated and Reported Mol. Weight Differ by .. 2983.72 Check
PLAT051_ALERT_1_A Mu(calc) and Mu(CIF) Ratio Differs from 1.0 by . 87.20 %
PLAT122_ALERT_1_A No _symmetry_space_group_name_H-M Given ........ Please Do !
PLAT213_ALERT_2_A Atom C17 has ADP max/min Ratio ..... 8.0 oblate
PLAT234_ALERT_4_A Large Hirshfeld Difference C22 -- C23 .. 0.36 Ang.
PLAT305_ALERT_2_A Isolated Hydrogen Atom (Outside Bond Range ??) H36B Check
PLAT355_ALERT_3_A Long O-H (X0.82,N0.98A) O36 - H36A ... 1.16 Ang.
PLAT415_ALERT_2_A Short Inter D-H..H-X H36A .. H36B .. 1.40 Ang.
PLAT417_ALERT_2_A Short Inter D-H..H-D H23A .. H24A .. 1.33 Ang.
Alert level B
PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 6.8 Ratio
PLAT234_ALERT_4_B Large Hirshfeld Difference C6 -- C7 .. 0.28 Ang.
PLAT241_ALERT_2_B High Ueq as Compared to Neighbors for ..... C22 Check
PLAT242_ALERT_2_B Low Ueq as Compared to Neighbors for ..... C21 Check
PLAT342_ALERT_3_B Low Bond Precision on C-C Bonds ............... 0.0325 Ang.
PLAT415_ALERT_2_B Short Inter D-H..H-X H12A .. H19B .. 1.98 Ang.
PLAT420_ALERT_2_B D-H Without Acceptor O19 - H19B ... Please Check
PLAT915_ALERT_3_B Low Friedel Pair Coverage ...................... 46 %
PLAT926_ALERT_1_B Reported and Calculated R1 Differ by ......... 0.0053 Check
PLAT927_ALERT_1_B Reported and Calculated wR2 Differ by ......... 0.0167 Check
Alert level C
STRVA01_ALERT_2_C Chirality of atom sites is inverted?
From the CIF: _refine_ls_abs_structure_Flack 0.860
From the CIF: _refine_ls_abs_structure_Flack_su 0.030
PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ Please Check
PLAT052_ALERT_1_C Info on Absorption Correction Method Not Given . Please Do !
PLAT053_ALERT_1_C Minimum Crystal Dimension Missing (or Error) ... Please Check
PLAT054_ALERT_1_C Medium Crystal Dimension Missing (or Error) ... Please Check
PLAT055_ALERT_1_C Maximum Crystal Dimension Missing (or Error) ... Please Check
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... Please Check
PLAT213_ALERT_2_C Atom O20 has ADP max/min Ratio ..... 3.1 prolat
PLAT213_ALERT_2_C Atom C4 has ADP max/min Ratio ..... 3.3 prolat
PLAT213_ALERT_2_C Atom C22 has ADP max/min Ratio ..... 3.4 prolat
PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 3.8 Ratio
PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 4.5 Ratio
PLAT234_ALERT_4_C Large Hirshfeld Difference Eu2 -- O10 .. 0.16 Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference O16 -- C29 .. 0.16 Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C10 -- C11 .. 0.20 Ang.
PLAT241_ALERT_2_C High Ueq as Compared to Neighbors for ..... O1 Check
PLAT241_ALERT_2_C High Ueq as Compared to Neighbors for ..... O7 Check
PLAT241_ALERT_2_C High Ueq as Compared to Neighbors for ..... O11 Check
PLAT241_ALERT_2_C High Ueq as Compared to Neighbors for ..... O17 Check
PLAT241_ALERT_2_C High Ueq as Compared to Neighbors for ..... C7 Check
PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... Eu1 Check
PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... Eu2 Check
PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C1 Check
PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C3 Check
PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C6 Check
PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C11 Check
PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C23 Check
PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C27 Check
PLAT243_ALERT_4_C High ’Solvent’ Ueq as Compared to Neighbors of C38 Check
PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C10 - C11 ... 1.40 Ang.
PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C37 - C38 ... 1.36 Ang.
PLAT368_ALERT_2_C Short C(sp2)-C(sp2) Bond C22 - C23 ... 1.18 Ang.
PLAT369_ALERT_2_C Long C(sp2)-C(sp2) Bond C1 - C2 ... 1.53 Ang.
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1
C36 H54 Eu3 O22
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 9 Why ?
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1
PLAT928_ALERT_1_C Reported and Calculated S value Differ by . 0.120
PLAT975_ALERT_2_C Positive Residual Density at 0.65A from O24 . 0.65 eA-3
PLAT975_ALERT_2_C Positive Residual Density at 0.93A from O16 . 0.52 eA-3
PLAT975_ALERT_2_C Positive Residual Density at 1.08A from O21 . 0.51 eA-3
Alert level G
FORMU01_ALERT_2_G There is a discrepancy between the atom counts in the
_chemical_formula_sum and the formula from the _atom_site* data.
Atom count from _chemical_formula_sum:C1 H1 Eu1 O1
Atom count from the _atom_site data: C1..625 Eu0.125 O1
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 21 Note
PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ... 9
PLAT004_ALERT_5_G Polymeric Structure Found with Dimension ....... 1 Info
PLAT045_ALERT_1_G Calculated and Reported Z Differ by ............ 0.04 Ratio
PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K) 293 Check
PLAT200_ALERT_1_G Reported _diffrn_ambient_temperature ..... (K) 293 Check
PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) . 1.12 Ratio
PLAT774_ALERT_1_G Suspect X-Y Bond in CIF: EU2 -- EU1 .. 4.14 Ang.
PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 98 Note
学术必备与600万学术达人在线互动！
扫描下载送金币君，已阅读到文档的结尾了呢~~
C波段微波功率放大器设计,低频功率放大器设计,音频功率放大器设计,功率放大器的设计,功率放大器设计,高频功率放大器设计,功率放大器设计论文,丙类功率放大器设计,微波波段,功率放大器
扫扫二维码，随身浏览文档
手机或平板扫扫即可继续访问
C波段微波功率放大器设计
举报该文档为侵权文档。
举报该文档含有违规或不良信息。
反馈该文档无法正常浏览。
举报该文档为重复文档。
推荐理由：
将文档分享至：
分享完整地址
文档地址：
粘贴到BBS或博客
flash地址：
支持嵌入FLASH地址的网站使用
html代码：
&embed src='/DocinViewer--144.swf' width='100%' height='600' type=application/x-shockwave-flash ALLOWFULLSCREEN='true' ALLOWSCRIPTACCESS='always'&&/embed&
450px*300px480px*400px650px*490px
支持嵌入HTML代码的网站使用
您的内容已经提交成功
您所提交的内容需要审核后才能发布，请您等待！
3秒自动关闭窗口}