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chenjing3636

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[求助] 晶體解析問(wèn)題已有2人參與

如圖，checkcif時(shí)出現(xiàn)這么多G類錯(cuò)誤，應(yīng)該如何解決呢？
PLAT300_ALERT_4_G Atom Site Occupancy of >O1 is Constrained at 0.683 Check
PLAT300_ALERT_4_G Atom Site Occupancy of >O2 is Constrained at 0.683 Check
PLAT300_ALERT_4_G Atom Site Occupancy of >O3 is Constrained at 0.683 Check
PLAT300_ALERT_4_G Atom Site Occupancy of >N6 is Constrained at 0.683 Check
PLAT300_ALERT_4_G Atom Site Occupancy of <O1’ is Constrained at 0.317 Check
PLAT300_ALERT_4_G Atom Site Occupancy of <O2’ is Constrained at 0.317 Check
PLAT300_ALERT_4_G Atom Site Occupancy of <O3’ is Constrained at 0.317 Check
PLAT300_ALERT_4_G Atom Site Occupancy of <N6’ is Constrained at 0.317 Check
PLAT300_ALERT_4_G Atom Site Occupancy of >O1_a is Constrained at 0.683 Check
PLAT300_ALERT_4_G Atom Site Occupancy of >O2_a is Constrained at 0.683 Check
PLAT300_ALERT_4_G Atom Site Occupancy of >O3_a is Constrained at 0.683 Check
PLAT300_ALERT_4_G Atom Site Occupancy of >N6_a is Constrained at 0.683 Check
PLAT300_ALERT_4_G Atom Site Occupancy of <O1’_a is Constrained at 0.317 Check
PLAT300_ALERT_4_G Atom Site Occupancy of <O2’_a is Constrained at 0.317 Check
PLAT300_ALERT_4_G Atom Site Occupancy of <O3’_a is Constrained at 0.317 Check
PLAT300_ALERT_4_G Atom Site Occupancy of <N6’_a is Constrained at 0.317 Check
PLAT300_ALERT_4_G Atom Site Occupancy of >O1_b is Constrained at 0.683 Check
PLAT300_ALERT_4_G Atom Site Occupancy of >O2_b is Constrained at 0.683 Check
PLAT300_ALERT_4_G Atom Site Occupancy of >O3_b is Constrained at 0.683 Check
PLAT300_ALERT_4_G Atom Site Occupancy of >N6_b is Constrained at 0.683 Check
PLAT300_ALERT_4_G Atom Site Occupancy of <O1’_b is Constrained at 0.317 Check
PLAT300_ALERT_4_G Atom Site Occupancy of <O2’_b is Constrained at 0.317 Check
PLAT300_ALERT_4_G Atom Site Occupancy of <O3’_b is Constrained at 0.317 Check
PLAT300_ALERT_4_G Atom Site Occupancy of <N6’_b is Constrained at 0.317 Check
PLAT300_ALERT_4_G Atom Site Occupancy of >O1_c is Constrained at 0.683 Check
PLAT300_ALERT_4_G Atom Site Occupancy of >O2_c is Constrained at 0.683 Check
PLAT300_ALERT_4_G Atom Site Occupancy of >O3_c is Constrained at 0.683 Check
PLAT300_ALERT_4_G Atom Site Occupancy of >N6_c is Constrained at 0.683 Check
PLAT300_ALERT_4_G Atom Site Occupancy of <O1’_c is Constrained at 0.317 Check
PLAT300_ALERT_4_G Atom Site Occupancy of <O2’_c is Constrained at 0.317 Check
PLAT300_ALERT_4_G Atom Site Occupancy of <O3’_c is Constrained at 0.317 Check
PLAT300_ALERT_4_G Atom Site Occupancy of <N6’_c is Constrained at 0.317 Check
PLAT300_ALERT_4_G Atom Site Occupancy of >O1_d is Constrained at 0.683 Check
PLAT300_ALERT_4_G Atom Site Occupancy of >O2_d is Constrained at 0.683 Check
PLAT300_ALERT_4_G Atom Site Occupancy of >O3_d is Constrained at 0.683 Check
PLAT300_ALERT_4_G Atom Site Occupancy of >N6_d is Constrained at 0.683 Check
PLAT300_ALERT_4_G Atom Site Occupancy of <O1’_d is Constrained at 0.317 Check
PLAT300_ALERT_4_G Atom Site Occupancy of <O2’_d is Constrained at 0.317 Check
PLAT300_ALERT_4_G Atom Site Occupancy of <O3’_d is Constrained at 0.317 Check
PLAT300_ALERT_4_G Atom Site Occupancy of <N6’_d is Constrained at 0.317 Check

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1樓 2015-01-12 08:38:04

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chenjing3636

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引用回帖:

5樓: Originally posted by lich666 at 2015-01-13 19:55:41
應(yīng)該是這個(gè)樣子。。。別part過(guò)的原子的占有率指定成21和-21，不要打10.xxxx的數(shù)字。...

那您能幫我把這些G類錯(cuò)誤去掉嗎？

贊一下

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6樓2015-01-14 10:47:17

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感謝參與，應(yīng)助指數(shù) +1
chenjing3636: 金幣+5 2015-01-13 16:38:29

G類錯(cuò)誤其實(shí)沒(méi)事，沒(méi)有A、B類錯(cuò)誤就行了，這些G類錯(cuò)誤看起來(lái)都是無(wú)序之后精修占有率造成的

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以大多數(shù)人的努力程度，還輪不到去拼天賦的地步

2樓2015-01-12 09:42:19

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匿名

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chenjing3636: 金幣+15, ★★★★★最佳答案 2015-01-13 16:38:34

本帖僅樓主可見(jiàn)

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3樓2015-01-12 11:35:43

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chenjing3636

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引用回帖:

3樓: Originally posted by lich666 at 2015-01-12 11:35:43
為啥這個(gè)占有率不使用自有變量精修，而是自己指定呢？

我都不懂啊，難道是因?yàn)檫@個(gè)原因?qū)е碌倪@么多G類錯(cuò)誤嗎？

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4樓2015-01-13 16:23:58

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