²é¿´: 2405  |  »Ø¸´: 13

forever1706

½û³æ (ÖªÃû×÷¼Ò)

ÒýÓûØÌû:
10Â¥: Originally posted by p452_1 at 2014-03-28 19:27:01
¾§ÌåÈç¹ûÊÇÄã×Ô¼º²âµÄ£¬µ±È»Äã¿ÉÒÔÉèÖÃ×îºÏÊʵķֱíÂÊ¡£Èç¹ûÊDZðÈ˲âµÄ£¬Äã½âÎö½á¹¹£¬XPREPºó»á²úÉúprpÎļþ£¬¿ÉÒԲ鿴prpÎļþ£¬¿ÉÒÔ¿´µ½ÑÜÉäÊý¾ÝµÄ·Ö±íÂÊÒÔ¼°¶ÔÓ¦µÄÊý¾ÝÍêÕû¶È¡¢Öظ´¶ÈÒÔ¼°RintÖµµÈ¡£...

ллϸÐĻظ´¡£
11Â¥2014-03-29 17:53:01
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

forever1706

½û³æ (ÖªÃû×÷¼Ò)

ÒýÓûØÌû:
10Â¥: Originally posted by p452_1 at 2014-03-28 19:27:01
¾§ÌåÈç¹ûÊÇÄã×Ô¼º²âµÄ£¬µ±È»Äã¿ÉÒÔÉèÖÃ×îºÏÊʵķֱíÂÊ¡£Èç¹ûÊDZðÈ˲âµÄ£¬Äã½âÎö½á¹¹£¬XPREPºó»á²úÉúprpÎļþ£¬¿ÉÒԲ鿴prpÎļþ£¬¿ÉÒÔ¿´µ½ÑÜÉäÊý¾ÝµÄ·Ö±íÂÊÒÔ¼°¶ÔÓ¦µÄÊý¾ÝÍêÕû¶È¡¢Öظ´¶ÈÒÔ¼°RintÖµµÈ¡£...

¼ÈÈ»ÄúÊÇÐмң¬ ÎҾͼÌÐøÎÊÁË£¬Õâ¸ö·Ö±æÂÊÔÚcifÖÐÌåÏÖÔÚʲôµØ·½£¬¼ü³¤µÄ¾«¶È£¿Ëü¿ÉÄÜ»áÓ°Ïìµ½checkcifµÄÄÄЩÎÊÌâ¡£¸Õ¿´Ò»¸öÎÒ½â¹ýµÄÊý¾Ý£¬ÔÚprpÎļþ½Ó½üĩβµÄλÖÃÕÒµ½  lowest resolution = 16.16 Angstroms¡£

Õâ¸ö¾§ÌåÖÊÁ¿»¹²»´í£¬checkcifµÄʱºòÓÐGÀà´íÎó£º

PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do !
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Co1 -- S1 .. 8.5 su
PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) . 1.16 Ratio

ÆäÖеڶþ¸öHirshfeld´íÎóÓÐͦ¶à£¬¶¼ÊǽðÊô¸úÏà¹ØµÄ¼ü¡£
Õâ¸öHirshfeldÊÇʲôԭÒòÒýÆðµÄ£¬ºÃÏñ¾­³£Óöµ½£¬ÓÐʱºò»áµ½CÀàÉõÖÁBÀà¡£Ôõô½â¾öÄØ£¿
12Â¥2014-03-29 18:03:56
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

p452_1

ÖÁ×ðľ³æ (ÖªÃû×÷¼Ò)

ÒýÓûØÌû:
12Â¥: Originally posted by forever1706 at 2014-03-29 18:03:56
¼ÈÈ»ÄúÊÇÐмң¬ ÎҾͼÌÐøÎÊÁË£¬Õâ¸ö·Ö±æÂÊÔÚcifÖÐÌåÏÖÔÚʲôµØ·½£¬¼ü³¤µÄ¾«¶È£¿Ëü¿ÉÄÜ»áÓ°Ïìµ½checkcifµÄÄÄЩÎÊÌâ¡£¸Õ¿´Ò»¸öÎÒ½â¹ýµÄÊý¾Ý£¬ÔÚprpÎļþ½Ó½üĩβµÄλÖÃÕÒµ½  lowest resolution = 16.16 Angstroms¡£
...

Ê×ÏÈÉùÃ÷ÎÒ²»ÊÇÐмң¬ºÜ¶àÏà¹ØµÄ֪ʶºÍÊõÓﻹ²»¶®¡£
ÎÒ¾õµÃ·Ö±æÂÊÔÚcifÎļþÖÐдÔÚÎļþµÄÏ·½¡£±ÈÈç_diffrn_reflns_theta_full        25.00£¬Ï൱ÓÚ·Ö±æÂÊΪ0.84°£¡£
Õâ¸ö·Ö±æÂʸöÈ˾õµÃ»áÓ°Ïìµ½RintÖµ£¬Í¨¹ý¸Ä±ä·Ö±æÂÊ¿ÉÒԸıäÊý¾ÝµÄÍêÕû¶È¡£±ÈÈçÊý¾ÝÍêÕû¶ÈÌ«µÍÔÚcheckcifʱºò³öÏÖAÀàÎÊÌ⣬¾ÍÐèÒª°Ñ·Ö±æÂÊÌáµ½0.84£¨¿É·¢±íÎÄÕµļ«ÏÞ£©£¬ÔÙ¾«ÐÞ¿´ÊÇ·ñ»á°ÑÊý¾ÝÍêÕû¶ÈÌá¸ßÌá¸ß£¨µ±È»¿´prpÎļþÓ¦¸ÃÐÄÀï¾ÍÇå³þ£©¡£
ÄãµÄÕâ¸ö½á¹¹Êý¾ÝÖÊÁ¿ºÜºÃ¡£checkcifµÄGÀàÒ»°ã²»ÊÇ´íÎ󣬽ö½öÊÇijЩÐÅÏ¢ÌáÐÑ£¬ÄãÍêÈ«¿ÉÒÔºöÂÔËûÃÇ¡£
µÚ¶þ¸öÎÊÌ⣬Hirshfeld test diffÎÒÒ²²»Ì«Çå³þ£¬Ö÷ÒªÊÇÒÔǰû̫עÒâ¡£¿´µ½ÓÐÎÄÏ×°ÑÕâ¸öÎÊÌâ¹é½áÓÚÎüÊÕ½ÃÕýûÓÐ×öºÃ£ºThis is due to the empirical multi-scan absorption correction. ËùÒÔÎÒÏë¾ÍÊÇÖ»ºÃÔÚÊý¾Ý»¹Ô­ÒÔºóÖØÐÂ×öÎüÊÕ½ÃÕý£¬¸Ä±äһЩ²ÎÊý£¬¿´¿´½á¹û»á·ñ±äºÃ¡£ÓÉÓÚ²»ÊÇר¼Ò£¬Õâ¸öºÃµÄ½á¹û¿ÉÄÜÐèÒªÃþË÷ºÜ¶à´Î²ÅÄܹ»µÃµ½¡£
ÒÔÉÏÌÖÂÛ½ö½öÊǸöÈËÖ®¼û£¬»¶Ó­ÄãÌá³ö²»Í¬Òâ¼û£¬À´ÉרҵÌÖÂÛ¡£
ÀÏÍᲩ
13Â¥2014-03-29 20:39:51
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

forever1706

½û³æ (ÖªÃû×÷¼Ò)

ÒýÓûØÌû:
13Â¥: Originally posted by p452_1 at 2014-03-29 20:39:51
Ê×ÏÈÉùÃ÷ÎÒ²»ÊÇÐмң¬ºÜ¶àÏà¹ØµÄ֪ʶºÍÊõÓﻹ²»¶®¡£
ÎÒ¾õµÃ·Ö±æÂÊÔÚcifÎļþÖÐдÔÚÎļþµÄÏ·½¡£±ÈÈç_diffrn_reflns_theta_full        25.00£¬Ï൱ÓÚ·Ö±æÂÊΪ0.84°£¡£
Õâ¸ö·Ö±æÂʸöÈ˾õµÃ»áÓ°Ïìµ½RintÖµ£¬Í¨¹ý¸Ä±ä ...

ÆäʵÎÒÒ²²â¹ý£¬µ«ÊÇ¶ÔÆäÖеÄÔ­ÀíÖªÖ®ÉõÉÙ£¬±ÈÈçΪʲô_diffrn_reflns_theta_full        25.00£¬Ï൱ÓÚ·Ö±æÂÊΪ0.84°£¡£ÎÒµÄÄǸöÊý¾ÝÔÚprpÎļþÖÐÕÒµ½µÄÊÇlowest resolution = 16.16 Angstroms£¬¶øÔÚcifÖжÔÓ¦µÄ_diffrn_reflns_theta_full              28.56 £¬ÎÊÌâÊÇ16.16ºÍ0.84ÕâÁ½¸ö·Ö±æÂÊÍêÈ«²»´î±ß¡£
¹ØÓÚÎüÊÕУÕý£¬ÎÒÒ²²»¶®£¬ÊÇÔÚÊý¾Ý»¹Ô­µÄÄDz½×öÂ𣿠Äú˵µÄÒ»¸öÊÂÈÃÎÒÏëÆðÀ´ÁË£¬ÎÒÓÐÒ»¸öÊý¾Ý£¬±¾À´Ò»Ö±½Ç¶È²»¹»£¬²Å23¶ÈµÄÑù×Ó£¬ºóÀ´¸ºÔðÊý¾ÝÊÕ¼¯ºÍ»¹Ô­µÄÀÏʦͨ¹ý¸Ä·Ö±æÂʰÑÕâ¸ö½Ç¶ÈÌá¸ßÁË£¬ÎÒÀí½âÊǰѷֱæÂÊÌá¸ß£¬±¾À´µÄÈõµã¶¼µ±³ÉÔëÒô£¬ËùÒԸ߽ǶÈûµã£¬ÕâÑù¸Ä·Ö±æÂÊÖ®ºó£¬ÄÇЩÈõµãÒ²¶¼ËãÑÜÉäµãÁË£¬µ«ÊÇËðʧÁËÒ»µãRÖµ£¬²»¹ý»¹ºÃÄǸöÖÊÁ¿Ò²¹ýµÃÈ¥£¬ÐÞÍêºó¾ÍûÓÐABÀà´íÎóÁË¡£

Õâ¸öHirshfeld test diffÎÒ¾­³£Óöµ½£¬ÒÔǰÓÐʱºòÊÇBÀ඼ûȥ¹Ü£¬Í¶ÎÄÕÂÒ²¾ÍÄÇô¹ýÁË¡£ÕæÐIJ»¶®Ôõô³¹µ×Ã÷°×Õâ¸öÎÊÌâµÄÔ­ÒòºÍ¶Ô²ß¡£

×ÜÖ®£¬Ð»Ð»ÄãµÄÄÍÐĻظ´ºÍ²»Áߴͽ̡£
14Â¥2014-03-30 00:29:41
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ cham208 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸985£¬±¾¿Æ211£¬0817»¯Ñ§¹¤³ÌÓë¼¼Êõ319Çóµ÷¼Á +5 Liwangman 2026-03-15 5/250 2026-03-16 17:10 by ÎҵĴ¬Îҵĺ£
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤ Çóµ÷¼Á +13 enenenhui 2026-03-13 14/700 2026-03-16 15:19 by ÁËÁËÁËÁË¡£¡£
[¿¼ÑÐ] 0703 ÎïÀí»¯Ñ§µ÷¼Á +3 ÎÒ¿ÉÒÔÉϰ¶µÄ¶Ô 2026-03-13 5/250 2026-03-16 10:50 by ÎÒ¿ÉÒÔÉϰ¶µÄ¶ÔÂ
[¿¼ÑÐ] 311Çóµ÷¼Á +6 ¶¬Ê®Èý 2026-03-15 6/300 2026-03-16 08:00 by wang_dand
[»ù½ðÉêÇë] NSFCÉ걨ÊéÀïÉêÇëÈ˼òÀúÖдú±íÐÔÂÛÖø»¹ÐèÒªÔÚÉ걨Êé×îºóµÄ¸½¼þÀïÃæÔÙÉÏ´«Ò»±éÂð 20+5 NSFC2026ÎÒÀ´ÁË 2026-03-10 14/700 2026-03-15 23:53 by ²»¸ºÉØ»ªµÄ»¢
[¿¼ÑÐ] ±¾¿ÆÄϾ©´óѧһ־Ը´¨´óҩѧ327 +3 ÂóÌï¸ûÕß 2026-03-14 3/150 2026-03-14 20:04 by ÍâÐÇÎÄÃ÷
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á +4 z1z2z3879 2026-03-14 5/250 2026-03-14 16:30 by JourneyLucky
[¿¼ÑÐ] ¡¾0703»¯Ñ§µ÷¼Á¡¿-Ò»Ö¾Ô¸»ªÖÐʦ·¶´óѧ-Áù¼¶475 +5 Becho359 2026-03-11 5/250 2026-03-14 11:35 by ŶŶ123
[¿¼ÑÐ] ²ÄÁÏ080500µ÷¼ÁÇóÊÕÁô +3 Ò»¿Åmeteor 2026-03-13 3/150 2026-03-14 10:54 by peike
[¿¼ÑÐ] 085600Çóµ÷¼Á +3 aÉÛÐÇ³Ø 2026-03-09 3/150 2026-03-14 01:32 by JourneyLucky
[¿¼ÑÐ] ²ÄÁϹ¤³Ìר˶£¬Ò»Ö¾Ô¸Öйú¿óÒµ´óѧ£¬×Ü·Ö314£¬Çóµ÷¼Á +5 ÎÞи¿É»÷µÄ¾ÞÈË 2026-03-10 5/250 2026-03-14 00:37 by JourneyLucky
[¿¼ÑÐ] 285 Çóµ÷¼Á ×ÊÔ´Óë»·¾³ Ò»Ö¾Ô¸±±¾©»¯¹¤´óѧ +3 δÃû¿¼Éú 2026-03-10 3/150 2026-03-13 23:04 by JourneyLucky
[¿¼ÑÐ] 0703£¬333·ÖÇóµ÷¼Á Ò»Ö¾Ô¸Ö£ÖÝ´óѧ-ÎïÀí»¯Ñ§ +3 Àîħٶ·Åñ 2026-03-11 3/150 2026-03-13 22:24 by JourneyLucky
[¿¼ÑÐ] ËÄ´¨´óѧ085601²ÄÁϹ¤³Ìר˶ ³õÊÔ294Çóµ÷¼Á +4 ×£ÎÒÃǺÃÔÚ¶¬Ìì 2026-03-11 4/200 2026-03-13 21:39 by peike
[¿¼ÑÐ] Çóµ÷¼Á +7 18880831720 2026-03-11 7/350 2026-03-13 16:10 by JourneyLucky
[¿¼ÑÐ] ¡¾0856¡¿»¯Ñ§¹¤³Ì£¨085602£©313 ·Ö£¬±¾¿ÆÑ§¿ÆÆÀ¹ÀAÀàԺУ»¯Ñ§¹¤³ÌÓ빤ÒÕ£¬³ÏÇóµ÷¼Á +7 СÁõ¿ì¿ìÉϰ¶ 2026-03-11 7/350 2026-03-13 16:06 by ruiyingmiao
[¿¼ÑÐ] ¹¤¿Æ278·ÖÇóµ÷¼Á +5 ÖÜÂýÈȰ¡ 2026-03-12 7/350 2026-03-13 15:49 by JourneyLucky
[¿¼ÑÐ] Çóµ÷¼Á +3 ³ÌÓ꺼 2026-03-12 3/150 2026-03-13 15:06 by JourneyLucky
[¿¼ÑÐ] 290Çóµ÷¼Á +3 ADT 2026-03-13 3/150 2026-03-13 10:19 by peike
[¿¼ÑÐ] 321Çóµ÷¼Á£¨Ê³Æ·/ר˶£© +3 xc321 2026-03-12 6/300 2026-03-13 08:45 by xc321
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û