 |
 |
 |
 |
 |
 |
||
 |
 |
 |
 |
 |
| 1 | 1/1 | 返回列表 |
| 查看: 1938 | 回復(fù): 0 | ||
| 【懸賞金幣】回答本帖問題，作者輕松不少隨將贈送您 10 個金幣 | ||
輕松不少隨新蟲 (正式寫手)
|
[求助]
急求解決一晶體cif文件A類和B類錯誤，要畢業(yè)啦多謝啦
|
|
|
Alert level A EXPT005_ALERT_1_A _exptl_crystal_description is missing Crystal habit description. The following tests will not be performed. CRYSR_01 DIFF003_ALERT_1_A _diffrn_measurement_device_type is missing Diffractometer make and type. Replaces _diffrn_measurement_type. ATOM007_ALERT_1_A _atom_site_aniso_label is missing Unique label identifying the atom site. CHEMW03_ALERT_2_A ALERT: The ratio of given/expected molecular weight as calculated from the _atom_site* data lies outside the range 0.90 <> 1.10 From the CIF: _cell_formula_units_Z 17 From the CIF: _chemical_formula_weight 72.84 TEST: Calculate formula weight from _atom_site_* atom mass num sum C 12.01 3.88 46.63 H 1.01 0.00 0.00 B 10.81 0.12 1.27 N 14.01 0.12 1.65 O 16.00 0.35 5.65 F 19.00 0.24 4.47 Calculated formula weight 59.67 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 5.183 Additional refinement cycles may be required. PLAT026_ALERT_3_A Ratio Observed / Unique Reflections too Low .... 18 % PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.931 Note PLAT043_ALERT_1_A Calculated and Reported Mol. Weight Differ by .. 111.99 Check PLAT051_ALERT_1_A Mu(calc) and Mu(CIF) Ratio Differs from 1.0 by . 41.53 % PLAT080_ALERT_2_A Maximum Shift/Error ............................ 5.18 Why ? PLAT201_ALERT_2_A Isotropic non-H Atoms in Main Residue(s) ....... 39 Report Alert level B RFACR01_ALERT_3_B The value of the weighted R factor is > 0.35 Weighted R factor given 0.396 RINTA01_ALERT_3_B The value of Rint is greater than 0.18 Rint given 0.221 PLAT020_ALERT_3_B The value of Rint is greater than 0.12 ......... 0.221 Report PLAT084_ALERT_3_B High wR2 Value (i.e. > 0.25) ................... 0.40 Report PLAT306_ALERT_2_B Isolated Oxygen Atom (H-atoms Missing ?) ....... Ow1 Check PLAT340_ALERT_3_B Low Bond Precision on C-C Bonds ............... 0.0154 Ang. Alert level C RFACG01_ALERT_3_C The value of the R factor is > 0.10 R factor given 0.143 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 PLAT082_ALERT_2_C High R1 Value .................................. 0.14 Report PLAT202_ALERT_3_C Isotropic non-H Atoms in Anion/Solvent ......... 1 PLAT241_ALERT_2_C High Ueq as Compared to Neighbors for ..... C5 Check |
回復(fù)此樓» 猜你喜歡
289材料與化工（085600）B區(qū)求調(diào)劑
已經(jīng)有4人回復(fù)
-
一志愿武理材料工程348求調(diào)劑
已經(jīng)有6人回復(fù)
-
08工科 320總分 求調(diào)劑
已經(jīng)有11人回復(fù)
-
一志愿華中農(nóng)業(yè)071010，總分320求調(diào)劑
已經(jīng)有6人回復(fù)
-
323求調(diào)劑
已經(jīng)有5人回復(fù)
-
284求調(diào)劑
已經(jīng)有5人回復(fù)
-
317求調(diào)劑
已經(jīng)有16人回復(fù)
-
287求調(diào)劑
已經(jīng)有9人回復(fù)
-
求調(diào)劑
已經(jīng)有6人回復(fù)
-
308求調(diào)劑
已經(jīng)有3人回復(fù)
相關(guān)版塊跳轉(zhuǎn)
我要訂閱樓主 輕松不少隨 的主題更新
| 1 | 1/1 | 返回列表 |
| 最具人氣熱帖推薦 [查看全部] | 作者 | 回/看 | 最后發(fā)表 | |
|---|---|---|---|---|
|
[考研] 289材料與化工（085600）B區(qū)求調(diào)劑 +3 | 這么名字咋樣 2026-03-22 | 4/200 |
|
|---|---|---|---|---|
|
[考研] 一志愿中南化學(xué)（0703）總分337求調(diào)劑 +9 | niko- 2026-03-19 | 10/500 |
|
|
|
[考研] 求調(diào)劑院校信息 +6 | CX 330 2026-03-21 | 6/300 |
|
|
|
[考研] 269專碩求調(diào)劑 +6 | 金恩貝 2026-03-21 | 6/300 |
|
|
|
[考研] 278求調(diào)劑 +9 | 煙火先于春 2026-03-17 | 9/450 |
|
|
|
[考研] 313求調(diào)劑 +4 | 肆叁貳壹22 2026-03-19 | 4/200 |
|
|
|
[考研] 求調(diào)劑 +3 | .m.. 2026-03-21 | 4/200 |
|
|
|
[基金申請]
學(xué)校已經(jīng)提交到NSFC，還能修改嗎？
 40+4
|
babangida 2026-03-19 | 9/450 |
|
|
|
[考研] 一志愿山大07化學(xué) 332分 四六級已過 本科山東雙非 求調(diào)劑！ +3 | 不想理你 2026-03-16 | 3/150 |
|
|
|
[考研] 307求調(diào)劑 +10 | 冷笙123 2026-03-17 | 10/500 |
|
|
|
[考研] 一志愿華南師大 070300（化學(xué)）304分求調(diào)劑 +3 | 0703武芊慧雪304 2026-03-18 | 3/150 |
|
|
|
[考研] 288求調(diào)劑 +16 | 于海海海海 2026-03-19 | 16/800 |
|
|
|
[考研] 一志愿蘇州大學(xué)材料求調(diào)劑，總分315（英一） +5 | sbdksD 2026-03-19 | 5/250 |
|
|
|
[考研] 329求調(diào)劑 +9 | 想上學(xué)吖吖 2026-03-19 | 9/450 |
|
|
|
[考研] 一志愿西南交通 專碩 材料355 本科雙非 求調(diào)劑 +5 | 西南交通專材355 2026-03-19 | 5/250 |
|
|
|
[考研] 廣西大學(xué)家禽遺傳育種課題組2026年碩士招生（接收計算機專業(yè)調(diào)劑） +3 | 123阿標(biāo) 2026-03-17 | 3/150 |
|
|
|
[考研]
 320求調(diào)劑0856
+3
|
不想起名字112 2026-03-19 | 3/150 |
|
|
|
[考研] 材料考研調(diào)劑 +3 | xwt。 2026-03-19 | 3/150 |
|
|
|
[考研] 277調(diào)劑 +5 | 自由煎餅果子 2026-03-16 | 6/300 |
|
|
|
[考研] 085601求調(diào)劑 +4 | Du.11 2026-03-16 | 4/200 |
|