 |
 |
 |
 |
 |
 |
||
 |
 |
 |
 |
 |
| 5 | 1/1 | 返回列表 |
| 查看: 1690 | 回復(fù): 5 | ||
| 【懸賞金幣】回答本帖問題，作者qwer向前將贈送您 5 個金幣 | ||
| 當(dāng)前只顯示滿足指定條件的回帖，點(diǎn)擊這里查看本話題的所有回帖 | ||
[求助]
新人第一次測單晶XRD，請問接下來用什么軟件分析，求教程 已有1人參與
|
||
請問各位大佬，我第一次測了單晶XRD，有數(shù)據(jù)，請問用什么軟件看呢？怎么看呢？目前學(xué)校提供Mercury，DIFFRAC，diamond,olex2。新手啥也不知道，目前有cif,hkl,ins,p4p,res,sum這些文件。 |
回復(fù)此樓» 猜你喜歡
海南師范大學(xué)招收化學(xué)博士（光電功能材料課題組招收博士研究生）
已經(jīng)有11人回復(fù)
-
求助幾個團(tuán)簇的cif
已經(jīng)有0人回復(fù)
-
無機(jī)化學(xué)論文潤色/翻譯怎么收費(fèi)?
已經(jīng)有70人回復(fù)
-
急求該反應(yīng)的詳細(xì)機(jī)理
已經(jīng)有5人回復(fù)
-
【Ei | Scopus 雙檢索】2026年智能交通與未來出行國際會議（CSTFM 2026）
已經(jīng)有0人回復(fù)
-
【EI|Scopus 雙檢索】2026年第六屆機(jī)器人與人工智能國際會議（JCRAI 2026）
已經(jīng)有0人回復(fù)
-
zotero的advanced material模板沒有更新，有人有新版的cls文件嗎
已經(jīng)有2人回復(fù)
-
【高校聯(lián)合舉辦】2026年第五屆服務(wù)機(jī)器人國際會議（ICoSR 2026）
已經(jīng)有0人回復(fù)
-
深圳大學(xué)化學(xué)與環(huán)境工程學(xué)院超分子團(tuán)隊(duì)招收2026級申請-考核制博士生
已經(jīng)有8人回復(fù)
-
中南大學(xué)化學(xué)化工學(xué)院易小藝教授課題組招收2026級博士研究生（第二輪）
已經(jīng)有0人回復(fù)
人人人人人質(zhì)
新蟲 (小有名氣)
- 應(yīng)助: 2 (幼兒園)
- 金幣: 60.4
- 紅花: 1
- 帖子: 66
- 在線: 34.6小時
- 蟲號: 4455588
- 注冊: 2016-03-02
- 專業(yè): 配位化學(xué)
qwer向前3樓2023-12-28 14:53:21
wangyikeco
木蟲 (正式寫手)
newbie
- 應(yīng)助: 84 (初中生)
- 金幣: 7019
- 帖子: 542
- 在線: 111.3小時
- 蟲號: 25598800
- 注冊: 2021-03-03
- 性別: GG
- 專業(yè): 凝聚態(tài)物性 II ：電子結(jié)構(gòu)
【答案】應(yīng)助回帖
感謝參與，應(yīng)助指數(shù) +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樓2023-12-22 10:38:47
4樓2024-01-08 20:05:44
6樓2024-01-08 22:55:31
| 最具人氣熱帖推薦 [查看全部] | 作者 | 回/看 | 最后發(fā)表 | |
|---|---|---|---|---|
|
[考研] 一志愿蘇大材料工程專碩293求調(diào)劑 +3 | 鋼鐵大炮 2026-03-04 | 3/150 |
|
|---|---|---|---|---|
|
|
[考研] A區(qū)一本交叉課題組，低分調(diào)劑，招收機(jī)械電子信息通信等交叉方向 +17 | lisimayy 2026-03-04 | 25/1250 |
|
|
[考研] 求調(diào)劑 +3 | 泡了個椒 2026-03-04 | 4/200 |
|
|
|
[考研] 材料類考研調(diào)劑 +7 | gemmgemm 2026-03-01 | 8/400 |
|
|
|
[考研] 307求調(diào)劑 +4 | xuyuan111 2026-03-04 | 5/250 |
|
|
|
[考研] 322分 085600求調(diào)劑，有互聯(lián)網(wǎng)+國金及主持省級大創(chuàng)經(jīng)歷 +6 | 熊境喆 2026-03-04 | 6/300 |
|
|
|
[考研] 264求調(diào)劑 +3 | thext 2026-03-03 | 3/150 |
|
|
|
[論文投稿]
EST拒稿重投
 5+3
|
15102603076 2026-03-02 | 3/150 |
|
|
|
[考研]
 0703化學(xué)學(xué)碩 288分
+4
|
旅行中的紫葡萄 2026-03-03 | 4/200 |
|
|
|
[考研] 266材料化工求調(diào)劑 +3 | 哇塞王帥 2026-03-03 | 3/150 |
|
|
|
[考研] 化學(xué)0703求調(diào)劑 學(xué)碩 理/工科均可 總分279 +3 | 1一11 2026-03-03 | 5/250 |
|
|
|
[考研] 材料工程求調(diào)劑 +3 | 1431251 2026-03-03 | 3/150 |
|
|
|
[考研] 0856材料調(diào)劑 +5 | 沿岸有貝殼OUC 2026-03-02 | 5/250 |
|
|
|
[考研] 0856化工專碩求調(diào)劑 +15 | 董boxing 2026-03-01 | 15/750 |
|
|
|
[考研] 哈工大計(jì)算機(jī)劉劼團(tuán)隊(duì)招生 +4 | hit_aiot 2026-03-01 | 6/300 |
|
|
|
[考研] 材料調(diào)劑 +6 | 愛擦汗的可樂冰 2026-02-28 | 7/350 |
|
|
|
[考研] 材料類求調(diào)劑 +11 | wana_kiko 2026-02-28 | 14/700 |
|
|
|
[考研] 291分工科求調(diào)劑 +9 | science餓餓 2026-03-01 | 10/500 |
|
|
|
[考研] 328求調(diào)劑 +3 | aaadim 2026-03-01 | 5/250 |
|
|
|
[基金申請]
剛錄用，沒有期刊號，但是在線可看的論文可以放為代表作嗎
10+3
|
arang1 2026-03-01 | 3/150 |
|