| 9 | 1/1 | 返回列表 |
| 查看: 1797 | 回復(fù): 8 | ||||
donglin13木蟲 (正式寫手)
|
[求助]
check cif 錯(cuò)誤解析 已有3人參與
|
|
求大神看看這是什么意思,本人第一次check ,不太明白,順便告訴我一下應(yīng)該怎么修改。 SYMM001_ALERT_1_A _symmetry_cell_setting is missing The cell setting should be one of the following * triclinic * monoclinic * orthorhombic * tetragonal * rhombohedral * trigonal * hexagonal * cubic The following tests will not be performed. SYMMS_01,SYMMS_02 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. PLAT078_ALERT_1_A No H-atoms, but _solution_hydrogens reported as geom Check PLAT079_ALERT_1_A No H-atoms, but _hydrogen_treatment reported as mixed Check PLAT122_ALERT_1_A No _symmetry_space_group_name_H-M Given ........ Please Do ! PLAT183_ALERT_1_A Missing _cell_measurement_reflns_used value .... Please Do ! PLAT184_ALERT_1_A Missing _cell_measurement_theta_min value ...... Please Do ! PLAT185_ALERT_1_A Missing _cell_measurement_theta_max value ...... Please Do ! PLAT234_ALERT_4_A Large Hirshfeld Difference N5 -- C30 .. 0.33 Ang. PLAT234_ALERT_4_A Large Hirshfeld Difference C30 -- C31 .. 0.41 Ang. PLAT310_ALERT_2_A C60 Deleted (Close to Mo20 ) Dist ..... 0.275 Ang. [ Last edited by linhua0402313 on 2015-11-22 at 09:31 ] |
木蟲 (正式寫手)
專家顧問 (文壇精英)
![]() |
專家經(jīng)驗(yàn): +1066 |
|
刪掉C60,然后C30也需要處理一下 發(fā)自小木蟲Android客戶端 |

木蟲 (正式寫手)
木蟲 (正式寫手)
專家顧問 (著名寫手)
![]() |
專家經(jīng)驗(yàn): +759 |
| 除了需要補(bǔ)充的信息外,其他的錯(cuò)誤你可以參照這個(gè)帖子上的方法操作http://www.gaoyang168.com/bbs/viewthread.php?tid=9000560&fpage=1 |
木蟲 (正式寫手)
| 9 | 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] 085701環(huán)境工程求調(diào)劑 +8 | 多久上課 2026-03-27 | 8/400 |
|
|---|---|---|---|---|
|
[考研] 070300化學(xué)求調(diào)劑 +4 | 起個(gè)名咋這么難 2026-03-27 | 4/200 |
|
|
[考研] 086000調(diào)劑 +3 | 7901117076 2026-03-26 | 3/150 |
|
|
[考研] 275求調(diào)劑 +8 | jjjjjjjjjjl 2026-03-27 | 8/400 |
|
|
[考研] 一志愿太原理工安全工程300分,求調(diào)劑 +4 | 0857求調(diào)劑. 2026-03-24 | 4/200 |
|
|
[考研] 298調(diào)劑 +3 | jiyingjie123 2026-03-27 | 3/150 |
|
|
[考研] 考研調(diào)劑 +9 | 小蠟新筆 2026-03-26 | 9/450 |
|
|
[考研] 材料學(xué)碩333求調(diào)劑 +8 | 北道巷 2026-03-24 | 8/400 |
|
|
[考研] 0856材料專碩353求調(diào)劑 +9 | NIFFFfff 2026-03-20 | 9/450 |
|
|
[考研]
材料學(xué)碩,求調(diào)劑
6+5
|
糖葫蘆888ll 2026-03-22 | 10/500 |
|
|
[考研] 一志愿鄭州大學(xué),080500學(xué)碩,總分317分求調(diào)劑 +4 | 舉個(gè)栗子oi 2026-03-24 | 5/250 |
|
|
[考研] 286求調(diào)劑 +13 | Faune 2026-03-21 | 13/650 |
|
|
[考研]
|
平樂樂樂 2026-03-26 | 4/200 |
|
|
[考研] 材料科學(xué)與工程 317求調(diào)劑 +4 | JKSOIID 2026-03-26 | 4/200 |
|
|
[考研] 一志愿河工大 081700 276求調(diào)劑 +4 | 地球繞著太陽(yáng)轉(zhuǎn) 2026-03-23 | 4/200 |
|
|
[考研] 材料專碩找調(diào)劑 +5 | 哈哈哈吼吼吼哈 2026-03-23 | 5/250 |
|
|
[考研] 307求調(diào)劑 +3 | 余意卿 2026-03-21 | 6/300 |
|
|
[考研] 305分求調(diào)劑(食品工程) +5 | Sxy112 2026-03-21 | 7/350 |
|
|
[考研]
|
13659058978 2026-03-24 | 4/200 |
|
|
[考研] 一志愿吉大化學(xué)322求調(diào)劑 +4 | 17501029541 2026-03-23 | 6/300 |
|