| 查看: 1730 | 回复: 5 | ||
| 【悬赏金币】回答本帖问题，作者qwer向前将赠送您 5 个金币 | ||
| 当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖 | ||
[求助]
新人第一次测单晶XRD，请问接下来用什么软件分析，求教程 已有1人参与
|
||
请问各位大佬，我第一次测了单晶XRD，有数据，请问用什么软件看呢？怎么看呢？目前学校提供Mercury，DIFFRAC，diamond,olex2。新手啥也不知道，目前有cif,hkl,ins,p4p,res,sum这些文件。 |
回复此楼» 猜你喜欢
有没有化学、材料专业的同学需要调剂 考虑天津高效的可以邮件或者私信
已经有1人回复
-
26年博士招生
已经有16人回复
-
无机化学论文润色/翻译怎么收费?
已经有246人回复
-
江西理工大学功能晶态材料方向刘遂军课题组招收2026年秋季入学博士研究生
已经有11人回复
-
宁夏大学团簇新材料团队招收材料/化学/化工专业博士生
已经有0人回复
-
MIL-101有单晶样品吗
已经有1人回复
-
已删除
已经有3人回复
-
收调剂研究生
已经有2人回复
-
【2026 考研调剂】哈尔滨工程大学核科学与技术学院核化工系 招收调剂生
已经有3人回复
-
武汉纺织大学技术研究院招收化学、化工、生物、材料、纺织等背景专业调剂生
已经有0人回复
-
【2026 考研调剂】哈尔滨工程大学核科学与技术学院核化工系 招收调剂生
已经有0人回复
6楼2024-01-08 22:55:31
wangyikeco
木虫 (正式写手)
newbie
- 应助: 84 (初中生)
- 金币: 7120.5
- 帖子: 549
- 在线: 112.7小时
- 虫号: 25598800
- 注册: 2021-03-03
- 性别: GG
- 专业: 凝聚态物性 II ：电子结构
【答案】应助回帖
感谢参与，应助指数 +1
|
SHELX https://shelx.uni-goettingen.de/ https://www.shelxle.org/shelx/eingabe.php SHELX is a set of programs for the determination of small (SM) and macromolecular (MM) crystal structures by single crystal X-ray and neutron diffraction. These stand-alone executables require NO libraries, extra files or environment variables. They are compatible with all modern versions of Linux, Windows and MacOSX, and are free for academic use. For-profit users are expected to pay a licence fee that covers development and support for all users. The programs may be called from a GUI such as shelXle, Olex2, Oscail or WinGX (SM solution and refinement) or hkl2map, XDSGUI, CCP4I2 and CCP4 online (MM phasing), or from a command line in a terminal window (for Windows, this is called Command Prompt and may be found in Accessories). Several of the programs output an instruction summary if called without a filename. SHELX-2019 contains the following programs: SHELXT - New small molecule (SM) structure solution program. SHELXS - Classical direct methods for SM structure solution. SHELXL - SM and MM refinement, more or less compatible with SHELX76 and SHELXL-97. PDB2INS - Preparation of .ins and optionally .hkl files for macromolecular refinement with SHELXL. For structures already deposited with the PDB, only the four character PDB code is required. In about 95% of cases where the PDB deposit includes reflection data, a SHELXL refinement may then be started without needing to change these files. CIFTAB and ShredCIF - editing and processing SM CIF files from SHELXL. SHELXC, SHELXD and SHELXE - MM phasing. SHELXD is also useful for SM direct methods. AnoDe - preparation and analysis of MM anomalous density maps. |
2楼2023-12-22 10:38:47
qwer向前3楼2023-12-28 14:53:21
4楼2024-01-08 20:05:44
10