Znn3bq.jpeg
²é¿´: 696  |  »Ø¸´: 4

chwlp

ľ³æ (ÕýʽдÊÖ)

[½»Á÷] ¡¾ÇóÖú¡¿Diamond »­Í¼³öÏÖÎÊÌâ ÒÑÓÐ2È˲ÎÓë

ÔÚDiamondÖе¼ÈëcifÎļþºóÖ»³öÏÖÒ»¸ö²»¶Ô³Æ½á¹¹»ùÔª£¬²»ÄܼÌÐøÍùÍâÉú³¤£¬ÇëÎʸÃÈçºÎ½â¾ö£¿Ð»Ð»
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

liuhaonk

½ð³æ (СÓÐÃûÆø)

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
wsht212(½ð±Ò+1):лл½»Á÷£¬Ï£Íû³£À´£¡ 2010-08-04 10:34:40
Mostly, this is caused by a wrong definition of space group. Reselect the right space group from the "Structure->Space Group" menu.
2Â¥2010-08-04 10:32:50
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

chwlp

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
Originally posted by liuhaonk at 2010-08-04 10:32:50:
Mostly, this is caused by a wrong definition of space group. Reselect the right space group from the "Structure->Space Group" menu.

ÎҰѿռäȺ¸ÄÁËÒÔºó£¬ËäÈ»Äܳ¤£¬µ«ÊǽṹÔõôҲ±äÁËÄØ£¿ÎÒÊǰ´ÕÕSHELXTLÀïµÄ¿Õ¼äȺ¸ÄµÄ£¬ÕâÊÇÕ¦»ØÊÂÄØ£¿
3Â¥2010-08-04 11:09:31
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

liuhaonk

½ð³æ (СÓÐÃûÆø)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÒýÓûØÌû:
Originally posted by chwlp at 2010-08-04 11:09:31:

ÎҰѿռäȺ¸ÄÁËÒÔºó£¬ËäÈ»Äܳ¤£¬µ«ÊǽṹÔõôҲ±äÁËÄØ£¿ÎÒÊǰ´ÕÕSHELXTLÀïµÄ¿Õ¼äȺ¸ÄµÄ£¬ÕâÊÇÕ¦»ØÊÂÄØ£¿

All I can advice is triple check if the space group and cell parameters using in Diamond are consistent with those used to get the final structure.

Note that some space groups contain non-formal symbols.
4Â¥2010-08-04 11:28:04
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

chwlp

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
Originally posted by liuhaonk at 2010-08-04 11:28:04:

All I can advice is triple check if the space group and cell parameters using in Diamond are consistent with those used to get the final structure.

Note that some space groups contain non-form ...

лл£¬Òѽâ¾ö£¡
5Â¥2010-08-04 14:44:11
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ xingchen2024 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 304Çóµ÷¼Á +5 castLight 2026-04-16 5/250 2026-04-16 21:49 by ѧԱJpLReM
[¿¼ÑÐ] 291Çóµ÷¼Á +8 ¹ØÒä±±. 2026-04-14 8/400 2026-04-16 11:30 by maoqinghuijz
[¿¼ÑÐ] 279ѧ˶ʳƷרҵÇóµ÷¼ÁԺУ 20+7 ¹Â¶ÀµÄÀǰ®³ÔÑò 2026-04-12 29/1450 2026-04-16 09:00 by screening
[¿¼ÑÐ] 289 ·Ö105500ҩѧר˶Çóµ÷¼Á(ÕÒBÇøÑ§Ð£) +4 °×ÔÆ123456789 2026-04-13 4/200 2026-04-16 00:18 by ·ÛÇßÈô³¾
[¿¼ÑÐ] ҩѧ305Çóµ÷¼Á +7 Â꿨°Í¿¨boom 2026-04-11 7/350 2026-04-15 13:21 by Î÷±±Íû¡ª·çɳ
[¿¼ÑÐ] µ÷¼Á +12 ÔÂ@163.com 2026-04-11 12/600 2026-04-14 15:37 by zs92450
[¿¼ÑÐ] Çóµ÷¼Á +12 ºÎÆøÕý 2026-04-13 13/650 2026-04-14 14:47 by zs92450
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤349·ÖÇóµ÷¼Á +16 Àîľ×Ó°¡¹þ¹þ 2026-04-12 17/850 2026-04-14 09:11 by fenglj492
[¿¼ÑÐ] 300·ÖÇóµ÷¼Á £¨085501»úеר˶£¬±¾¿ÆÑï´ó£© +9 xu@841019 2026-04-11 10/500 2026-04-14 08:48 by ľľmumu¡«
[¿¼ÑÐ] ²ÄÁÏ085601µ÷¼Á +32 ºÎÈó²É123 2026-04-10 34/1700 2026-04-14 08:47 by ľľmumu¡«
[¿¼ÑÐ] Çóµ÷¼Á +3 ÎÒ°®¸ßÊý¸ßÊý°®Î 2026-04-12 3/150 2026-04-14 01:00 by Íõ¬Bè±
[¿¼ÑÐ] 290Çóµ÷¼Á +18 ¿Â»´È» 2026-04-12 20/1000 2026-04-13 12:56 by cyh¡ª315
[¿¼ÑÐ] 339Çóµ÷¼Á +4 hanwudada 2026-04-12 4/200 2026-04-13 12:03 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ÉúÎïѧµ÷¼Á +11 СȽҪŬÁ¦ 2026-04-10 13/650 2026-04-13 11:46 by µç»¯Ñ§¼°´ß»¯
[¿¼ÑÐ] 0831Ò»ÂÖµ÷¼Áʧ°ÜÇóÖú +10 СÐÜî£î£_s 2026-04-11 10/500 2026-04-12 22:43 by ³¤¹­°Á
[¿¼ÑÐ] 339Çóµ÷¼Á +8 hanwudada 2026-04-11 9/450 2026-04-12 15:36 by laoshidan
[¿¼ÑÐ] 303Çóµ÷¼Á +14 SereinQ 2026-04-10 15/750 2026-04-11 20:43 by À¶ÔÆË¼Óê
[¿¼ÑÐ] Çóµ÷¼Á£¬Ò»Ö¾Ô¸´óÁ¬Àí¹¤´óѧ354·Ö +5 ÓêÉùÓàÉú 2026-04-11 6/300 2026-04-11 16:12 by ÓêÉùÓàÉú
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤µ÷¼Á +12 ·ñ¼«Ì©À´2026 2026-04-10 13/650 2026-04-11 00:28 by wangjihu
[¿¼ÑÐ] Çൺ¿Æ¼¼´óѧ²ÄÁÏѧԺ£¬»·¾³Ñ§Ôºµ÷¼Á²¹Â¼4ÔÂ10ÈÕÒÔǰ¶¼¿ÉÒÔ +3 1Çà¿Æ´ó¡£ 2026-04-09 5/250 2026-04-10 09:58 by ôæôæÒ»ÊéÉú
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û