24小时热门版块排行榜    

Znn3bq.jpeg
查看: 254  |  回复: 2
【悬赏金币】回答本帖问题,作者tgzxzqj将赠送您 20 个金币

tgzxzqj

铜虫 (正式写手)

[求助] 粉末衍射数据解析晶体结构 已有1人参与

附件为粉末衍射数据,晶体纯度99%,可能结构为其同分异构体,必含元素种类:C/H/O/CL,感谢大佬们应助粉末衍射数据解析晶体结构
回复此楼

» 本帖附件资源列表

  • 欢迎监督和反馈:小木虫仅提供交流平台,不对该内容负责。
    本内容由用户自主发布,如果其内容涉及到知识产权问题,其责任在于用户本人,如对版权有异议,请联系邮箱:xiaomuchong@tal.com
  • 附件 1 : 2026-X-8.rar
  • 2026-04-14 20:56:30, 21.89 K

» 猜你喜欢

进击的巨人
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

ccchenzl

新虫 (初入文坛)

2楼2026-04-15 18:32:24
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

rlafite

至尊木虫 (正式写手)

【答案】应助回帖

感谢参与,应助指数 +1
Try EXPO2014
https://www.ba.ic.cnr.it/softwareic/expo2014/
EXPO2014 is able to solve crystal structures by powder diffraction data by using reciprocal as well as direct space methods. It is able to carry out the full pathway of the solution process: indexing, space group determination, estimation of the integrated intensities, ab-initio and non ab-initio structure solution, Rietveld refinement. With respect to the previous version, EXPO2014 has been enriched with new powerful computing tools for enhancing the structure solution process, e.g.:

The ALLTRIALS procedure for processing more sets of phases.
The covariance principle based completion method (COVMAP) for structure model optimization.
The RAndom Model based Method (RAMM) for structure solution in reciprocal space.
Hybrid Big Bang-Big Crunch approach for structure solution in direct space.
The EXPO2014 graphical interface has been optimized further on and made very user friendly. A few screenshots of EXPO2014 are shown below.
3楼2026-04-16 03:34:19
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 tgzxzqj 的主题更新
不应助 确定回帖应助 (注意:应助才可能被奖励,但不允许灌水,必须填写15个字符以上)
信息提示
请填处理意见