24小时热门版块排行榜    

CyRhmU.jpeg
查看: 1293  |  回复: 12

icyiceberg

铜虫 (正式写手)

[求助] 请教A、B类错误怎么解决????

请教下面的A、B类错误怎么解决????
DENSX01_ALERT_1_A The ratio of the calculated to measured crystal density
lies outside the range 0.80 <> 1.20
Calculated density = 1.362
Measured density = 0.000

PLAT093_ALERT_1_B No su’s on H-atoms, but refinement reported as . mixed
Alert level C
ABSTY03_ALERT_1_C The _exptl_absorpt_correction_type has been given as none.
However values have been given for Tmin and Tmax. Remove
these if an absorption correction has not been applied.
From the
回复此楼
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖
回帖置顶 ( 共有1个 )

lijunjie84

版主 (职业作家)

隐者

优秀版主


drg1984: 回帖置顶 2011-12-25 18:22:34
drg1984(金币+1): 欢迎来发帖交流问题! 2011-12-25 18:22:37
引用回帖:
3楼: Originally posted by icyiceberg at 2011-12-25 15:32:57:
第一个怎么改成一样的??

在cif 里将_exptl_crystal_density_meas 0
改为:_exptl_crystal_density_meas ?
5楼2011-12-25 15:37:01
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖
普通回帖

lijunjie84

版主 (职业作家)

隐者

优秀版主

【答案】应助回帖


感谢参与,应助指数 +1
icyiceberg(金币+10): ★★★很有帮助 2011-12-25 15:32:24
drg1984(金币+1): 欢迎来发帖交流问题! 2011-12-25 18:22:19
第一个改成一样的就行,第二个你在cif中把mixed 改成none就好了!
2楼2011-12-25 14:42:09
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

icyiceberg

铜虫 (正式写手)

引用回帖:
: Originally posted by lijunjie84 at 2011-12-25 14:42:09:
第一个改成一样的就行,第二个你在cif中把mixed 改成none就好了!

第一个怎么改成一样的??
3楼2011-12-25 15:32:57
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

icyiceberg

铜虫 (正式写手)

引用回帖:
: Originally posted by lijunjie84 at 2011-12-25 14:42:09:
第一个改成一样的就行,第二个你在cif中把mixed 改成none就好了!

_exptl_crystal_density_meas       0
_exptl_crystal_density_diffrn     1.362

是把上面的那两行改成
_exptl_crystal_density_meas       0.8
_exptl_crystal_density_diffrn     1.2

这样吗??
4楼2011-12-25 15:35:44
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

icyiceberg

铜虫 (正式写手)

引用回帖:
2楼: Originally posted by lijunjie84 at 2011-12-25 14:42:09:
第一个改成一样的就行,第二个你在cif中把mixed 改成none就好了!

还是把cif里最后的的
_refine_diff_density_max    0.168
_refine_diff_density_min   -0.281
_refine_diff_density_rms    0.041
改掉??
我是新手,请多指教
6楼2011-12-25 15:41:20
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

icyiceberg

铜虫 (正式写手)

引用回帖:
5楼: Originally posted by lijunjie84 at 2011-12-25 15:37:01:
在cif 里将_exptl_crystal_density_meas 0
改为:_exptl_crystal_density_meas ?

还是存在问题啊
Alert level A
DENSD01_ALERT_1_A The ratio of the submitted crystal density and that
calculated from the formula is outside the range 0.90 <> 1.10
Crystal density given = 1.200
Calculated crystal density = 1.362
DENSX01_ALERT_1_A The ratio of the calculated to measured crystal density
lies outside the range 0.80 <> 1.20
Calculated density = 1.200
Measured density = 0.800
PLAT044_ALERT_1_A Calculated and Reported Dx Differ .............. ?
PLAT046_ALERT_1_A Reported Z, MW and D(calc) are Inconsistent .... 1.362
7楼2011-12-25 15:44:14
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

lijunjie84

版主 (职业作家)

隐者

优秀版主


drg1984(金币+1): 欢迎来发帖交流问题! 2011-12-25 18:22:52
引用回帖:
7楼: Originally posted by icyiceberg at 2011-12-25 15:44:14:
还是存在问题啊
Alert level A
DENSD01_ALERT_1_A The ratio of the submitted crystal density and that
calculated from the formula is outside the range 0.90 <> 1.10
Crystal density given = 1 ...

改成?号!
8楼2011-12-25 15:48:45
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

lijunjie84

版主 (职业作家)

隐者

优秀版主


lichun1210(金币+1): 感谢交流~ 2011-12-26 00:03:54
引用回帖:
8楼: Originally posted by lijunjie84 at 2011-12-25 15:48:45:
改成?号!

或者你都写成1试一试!0.8-1.2是范围!
9楼2011-12-25 15:50:05
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

lijunjie84

版主 (职业作家)

隐者

优秀版主

引用回帖:
7楼: Originally posted by icyiceberg at 2011-12-25 15:44:14:
还是存在问题啊
Alert level A
DENSD01_ALERT_1_A The ratio of the submitted crystal density and that
calculated from the formula is outside the range 0.90 <> 1.10
Crystal density given = 1 ...

论坛很多帖子,我发了个涉及到很多AB类错误的PDF!自己下下来看看!
10楼2011-12-25 15:51:18
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖
相关版块跳转 我要订阅楼主 icyiceberg 的主题更新
信息提示
请填处理意见