应《网络安全法》要求，自2017年10月1日起，未进行实名认证将不得使用互联网跟帖服务。为保障您的帐号能够正常使用，请尽快对帐号进行手机号验证，感谢您的理解与支持！

24小时热门版块排行榜    

小木虫论坛-学术科研互动平台 » 材料区 » 晶体 » 晶体解析 » 关于squeeze的应用
11/1返回列表
查看: 626  |  回复: 0
只看楼主 @他人 存档 新回复提醒 (忽略) 收藏    在APP中查看

lhjxgy

银虫 (正式写手)

[交流] 关于squeeze的应用

PLATON checks show that there is a large void of some 1472 cubic
Angstroms in  this structure.  This  is never mentioned by the authors
in the text but at the end of the CIF we see the entries:-
  loop_
  _platon_squeeze_void_nr
  _platon_squeeze_void_average_x
  _platon_squeeze_void_average_y
  _platon_squeeze_void_average_z
  _platon_squeeze_void_volume
  _platon_squeeze_void_count_electrons
  _platon_squeeze_void_content
  1 0.530 -0.030 0.482 1472 192 ' '
which shows that SQUEEZE was used by the authors   

We should be told in the text that SQUEEZE was used to remove the contributions
of disordered solvent  The contribution of any disordered solvent removed by
the SQUEEZE process should be included in the overall formula, formula
weight, density, F(000), etc., calculations reported in Table 1 and in the
CIF.     This should now be done.

The response from the authors makes no sense and the above material is still
in the CIF.  This shows that SQUEEZE removed the contributions of some 192
electrons from the unit cell or 192/8 = 24 electrons from the asymmetric unit
of this C2/m space group.  As the authors must surely know what solvent was used
to grow crystals of compound 2, presumably these 29 electrons correspond with
disordered solvent in the asymmetric unit  - and as stated previously (and ignored)
the contribution of any disordered solvent removed by the SQUEEZE process should
be included in the overall formula, formula weight, density, F(000), etc.,
calculations reported in Table 1 and in the CIF.     This should now be done.

这是审稿人的问题，我不明白是什么意思，各位大侠们能不能告诉我呢？我应该怎么做

[ Last edited by lhjxgy on 2011-7-1 at 09:47 ]
回复此楼

» 猜你喜欢

» 抢金币啦！回帖就可以得到:

查看全部散金贴
1楼 2011-06-30 17:15:40
已阅   关注TA 给TA发消息 送TA红花 TA的回帖

智能机器人

Robot (super robot)

我们都爱小木虫

找到一些相关的精华帖子，希望有用哦~

科研从小木虫开始，人人为我，我为人人
相关版块跳转 我要订阅楼主 lhjxgy 的主题更新
11/1返回列表
信息提示
关闭
请填处理意见
关闭