 |
 |
 |
 |
 |
 |
||
 |
 |
 |
 |
 |
| 5 | 1/1 | 返回列表 |
| 查看: 1551 | 回復(fù): 6 | ||
| 當(dāng)前只顯示滿足指定條件的回帖，點擊這里查看本話題的所有回帖 | ||
wjlinday金蟲 (正式寫手)
|
[求助]
本人晶體出現(xiàn)ABCG錯誤，請大神給看看怎么辦。謝謝 已有4人參與
|
|
|
誰給幫忙修一下，需要時我把數(shù)據(jù)傳給你，謝謝。 Alert level A RINTA01_ALERT_3_A The value of Rint is greater than 0.25 Rint given 0.307 PLAT020_ALERT_3_A The value of Rint is greater than 0.12 ......... 0.307 Report Alert level B PLAT026_ALERT_3_B Ratio Observed / Unique Reflections too Low .... 39 % Alert level C PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ Please Check PLAT043_ALERT_1_C Calculated and Reported Mol. Weight Differ by .. 2.02 Check PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... Please Check PLAT230_ALERT_2_C Hirshfeld Test Diff for S1 -- O1 .. 6.3 su PLAT241_ALERT_2_C High Ueq as Compared to Neighbors for ..... C4 Check PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... S1 Check PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C3 Check PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0096 Ang. 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:C72 H70 N6 O7 S2 Atom count from the _atom_site data: C72 H68 N6 O7 S2 CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected. CELLZ01_ALERT_1_G WARNING: H atoms missing from atom site list. Is this intentional? From the CIF: _cell_formula_units_Z 2 From the CIF: _chemical_formula_sum C72 H70 N6 O7 S2 TEST: Compare cell contents of formula and atom_site data atom Z*formula cif sites diff C 144.00 144.00 0.00 H 140.00 136.00 4.00 N 12.00 12.00 0.00 O 14.00 14.00 0.00 S 4.00 4.00 0.00 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 1 Report PLAT066_ALERT_1_G Predicted and Reported Tmin&Tmax Range Identical ? Check PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 7.30 Why ? PLAT093_ALERT_1_G No su’s on H-positions, refinement reported as . mixed Check PLAT128_ALERT_4_G Alternate Setting for Input Space Group P21/c P21/n Note PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K) 293 Check PLAT200_ALERT_1_G Reported _diffrn_ambient_temperature ..... (K) 293 Check PLAT300_ALERT_4_G Atom Site Occupancy of *O1W is Constrained at 0.500 Check PLAT302_ALERT_4_G Anion/Solvent Disorder ............ Percentage = 100 Note PLAT304_ALERT_4_G Non-Integer Number of Atoms ( 0.50) in Resd. # 2 Check PLAT311_ALERT_2_G Isolated Disordered Oxygen Atom (No H’s ?) ..... O1W Check PLAT899_ALERT_4_G SHELXL97 is Deprecated and Succeeded by SHELXL 2014 Note 2 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 8 ALERT level C = Check. Ensure it is not caused by an omission or oversight 16 ALERT level G = General information/check it is not something unexpected 9 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check |
回復(fù)此樓» 猜你喜歡
0703化學(xué)26考研調(diào)劑，一志愿南昌大學(xué)
已經(jīng)有5人回復(fù)
-
有沒有化學(xué)、材料專業(yè)的同學(xué)需要調(diào)劑 考慮天津高效的可以郵件或者私信
已經(jīng)有1人回復(fù)
-
無機化學(xué)論文潤色/翻譯怎么收費?
已經(jīng)有255人回復(fù)
-
26年博士招生
已經(jīng)有16人回復(fù)
-
江西理工大學(xué)功能晶態(tài)材料方向劉遂軍課題組招收2026年秋季入學(xué)博士研究生
已經(jīng)有11人回復(fù)
-
寧夏大學(xué)團簇新材料團隊招收材料/化學(xué)/化工專業(yè)博士生
已經(jīng)有0人回復(fù)
-
MIL-101有單晶樣品嗎
已經(jīng)有1人回復(fù)
-
已刪除
已經(jīng)有3人回復(fù)
-
收調(diào)劑研究生
已經(jīng)有2人回復(fù)
-
【2026 考研調(diào)劑】哈爾濱工程大學(xué)核科學(xué)與技術(shù)學(xué)院核化工系 招收調(diào)劑生
已經(jīng)有2人回復(fù)
-
武漢紡織大學(xué)技術(shù)研究院招收化學(xué)、化工、生物、材料、紡織等背景專業(yè)調(diào)劑生
已經(jīng)有0人回復(fù)
» 本主題相關(guān)價值貼推薦，對您同樣有幫助:
- 第一次做TEM，樣品是鈦酸鍶SrTiO3，這個圖應(yīng)該怎么分析你？求助大神，謝謝
已經(jīng)有7人回復(fù)
- 求大神幫忙修一下這幾個B類錯誤
已經(jīng)有11人回復(fù)
- 求大神幫忙解答下，測得單晶數(shù)據(jù)后如何使用Shelx等軟件解晶體，謝謝啦。
已經(jīng)有4人回復(fù)
- 解晶體時出現(xiàn)了A和B類錯誤，因為自己是菜鳥，所以請求大神幫忙。兩個晶體的
已經(jīng)有3人回復(fù)
- AB錯誤修改，急求大神幫忙�。�！
已經(jīng)有4人回復(fù)
- 新手求大神給解決幾個A類錯誤
已經(jīng)有9人回復(fù)
- 求助單晶解析的A錯修改問題，求大神幫助~謝謝
已經(jīng)有5人回復(fù)
- 求助！希望能獲得幾篇比較經(jīng)典的關(guān)于晶體缺陷的文獻！謝謝大神幫助，不勝趕緊！
已經(jīng)有7人回復(fù)
- 初學(xué)者仿了一個一維光子晶體，一直有錯誤，請大神們幫忙解釋一下
已經(jīng)有4人回復(fù)
- 在jade里面怎么看有沒有哪種特定的元素，請大神們指點啊
已經(jīng)有3人回復(fù)
7樓2015-06-11 09:32:19
匿名
用戶注銷 (知名作家)
精修問題可私信
- CMEI: 2
- 應(yīng)助: 2712 (講師)
- 貴賓: 0.836
- 金幣: 38475.5
- 散金: 1801
- 紅花: 400
- 帖子: 5825
- 在線: 1932.4小時
- 蟲號: 0
- 注冊: 2008-10-05
- 性別: GG
- 專業(yè): 藥物分析
- 管轄: 晶體
2樓2015-06-10 17:54:05
wjlinday
金蟲 (正式寫手)
- 應(yīng)助: 0 (幼兒園)
- 金幣: 1396.6
- 散金: 132
- 紅花: 6
- 帖子: 475
- 在線: 285.5小時
- 蟲號: 442513
- 注冊: 2007-10-27
- 性別: GG
- 專業(yè): 有機合成
3樓2015-06-10 19:15:34
匿名
用戶注銷 (知名作家)
精修問題可私信
- CMEI: 2
- 應(yīng)助: 2712 (講師)
- 貴賓: 0.836
- 金幣: 38475.5
- 散金: 1801
- 紅花: 400
- 帖子: 5825
- 在線: 1932.4小時
- 蟲號: 0
- 注冊: 2008-10-05
- 性別: GG
- 專業(yè): 藥物分析
- 管轄: 晶體
4樓2015-06-10 21:13:24
| 最具人氣熱帖推薦 [查看全部] | 作者 | 回/看 | 最后發(fā)表 | |
|---|---|---|---|---|
|
[考研] 求化學(xué)調(diào)劑 +5 | wulanna 2026-03-28 | 5/250 |
|
|---|---|---|---|---|
|
|
[考研] 0703 化學(xué) 求調(diào)劑，一志愿山東大學(xué) 342 分 +5 | Shern—- 2026-03-28 | 5/250 |
|
|
[考研] 環(huán)境工程 085701，267求調(diào)劑 +6 | minht 2026-03-29 | 6/300 |
|
|
|
[考研] 調(diào)劑考研 +3 | 王杰一 2026-03-29 | 3/150 |
|
|
|
[考研] 321求調(diào)劑 +7 | 璞玉~~ 2026-03-25 | 8/400 |
|
|
|
[考研] 346求調(diào)劑 一志愿070303有機化學(xué) +3 | 蘿卜燉青菜 2026-03-28 | 3/150 |
|
|
|
[考研] 07化學(xué)280分求調(diào)劑 +10 | 722865 2026-03-23 | 10/500 |
|
|
|
[考研] 材料292調(diào)劑 +12 | 橘頌思美人 2026-03-23 | 12/600 |
|
|
|
[考研] 一志愿陜師大生物學(xué)071000，298分，求調(diào)劑 +5 | SYA！ 2026-03-23 | 5/250 |
|
|
|
[考研] 一志愿天津大學(xué)339材料與化工求調(diào)劑 +3 | 江往賣魚 2026-03-26 | 3/150 |
|
|
|
[考研] 打過很多競賽，085406控制工程300分，求調(diào)劑 +3 | askeladz 2026-03-26 | 3/150 |
|
|
|
[考研] 290分調(diào)劑求助 +3 | 吉祥止止陳 2026-03-25 | 3/150 |
|
|
|
[考研] 考研一志愿蘇州大學(xué)初始315（英一）求調(diào)劑 +3 | sbdksD 2026-03-24 | 4/200 |
|
|
|
[考研] 網(wǎng)絡(luò)空間安全0839招調(diào)劑 +4 | w320357296 2026-03-25 | 6/300 |
|
|
|
[考研] 302求調(diào)劑 +4 | 錦衣衛(wèi)藤椒 2026-03-25 | 4/200 |
|
|
|
[考研] 各位老師您好：本人初試372分 +5 | jj涌77 2026-03-25 | 6/300 |
|
|
|
[考研] 293求調(diào)劑 +7 | 加一一九 2026-03-24 | 7/350 |
|
|
|
[考研] 調(diào)劑 +4 | 13853210211 2026-03-24 | 4/200 |
|
|
|
[考研] 333求調(diào)劑 +3 | ALULU4408 2026-03-23 | 3/150 |
|
|
|
[論文投稿] 急發(fā)核心期刊論文 +3 | 賢達問津 2026-03-23 | 5/250 |
|