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產(chǎn)品型號:-
產(chǎn)品代碼:002
產(chǎn)品價格:面議
產(chǎn)品編碼:002
計(jì)量單位:套
折 扣 率: 0
最后更新:2017-08-10
關(guān) 注 度:3644
生產(chǎn)企業(yè):北京環(huán)中睿馳科技有限公司
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產(chǎn)品詳細(xì)介紹 TOPAS-Academic軟件是澳大利亞Coelho Software公司在德國Bruker-TOPAS軟件基礎(chǔ)上推出的專門針對教育科研單位的全譜分析軟件, 用于對X射線衍射(XRD)譜線和對樣品晶體結(jié)構(gòu)進(jìn)行高級分析。
介紹 TOPAS - Academic的 V6 版現(xiàn)在已經(jīng)可以授予學(xué)位授予機(jī)構(gòu),包括大學(xué)、大學(xué)管理學(xué)院、實(shí)驗(yàn)室和學(xué)校。
TOPAS - Academic 包括了Bruker - axs TOPAS的所有功能,包括所有的圖形和OpenGL結(jié)構(gòu)編輯器和查看器。啟動模式是實(shí)現(xiàn)TOPAS的全部功能。
什么是TOPAS-Academic? TOPAS -Academic是一個基于Windows XP的(或稍后)通用的非線性最小二乘系統(tǒng),由腳本語言驅(qū)動。 它的主要焦點(diǎn)是結(jié)晶學(xué)、固態(tài)化學(xué)和優(yōu)化。塔的核心是由計(jì)算機(jī)代數(shù)系統(tǒng)封裝的極好的最小化例程;它是使主題依賴模塊如Rietveld細(xì)化發(fā)光的基礎(chǔ)。 主要功能包括:
函數(shù)最小化的計(jì)算機(jī)代數(shù)系統(tǒng),以及線性/非線性約束的應(yīng)用。 一種用于實(shí)驗(yàn)室x射線衍射、同步加速器、單晶體和中子固定波長和TOF數(shù)據(jù)的全功能Rietveld程序。 一種模擬退火算法,適用于所有系統(tǒng),包括粉末、中子、中子和單晶數(shù)據(jù)的實(shí)際空間中的結(jié)構(gòu)溶液。 索引算法。 一個叫TC的命令行程序。EXE包含了TA的內(nèi)核,用于批處理。 可以在這里找到關(guān)于TOPAS -學(xué)術(shù)性的教程,由John Evans提供。
作用 對于在晶體學(xué)、固態(tài)化學(xué)、最優(yōu)化和功能最小化方面工作的科學(xué)家和博士來說,TOPAS -學(xué)術(shù)性研究是一個重要的課題。 對助教的要求不需要晶體模塊,也不應(yīng)向作者提供教學(xué)輔助。 輸入到TOPAS -學(xué)術(shù)-寫INP腳本 Bruker - axs TOPAS的電力用戶使用啟動模式,數(shù)據(jù)輸入是通過一個編輯器來編寫輸入腳本INP格式的。 有一個好的編輯器和幫助系統(tǒng),寫INP腳本是直接的。 編輯是個人的選擇,期望所有用戶都滿足于任何特定的要求是不明智的。 然而,為了規(guī)范INP文件的編輯,并鼓勵使用一個好的編輯器和編輯macors的編輯器,開源編輯jEdit(根據(jù)GNU通用公共許可證的許可,GNU GPL)被推薦。
TOPAS-Academic / TOPAS比較 對于相同的版本號,TA的內(nèi)核和Bruker - axs TOPAS之間沒有區(qū)別。TA永遠(yuǎn)是最新的內(nèi)核。 對于單晶細(xì)化、結(jié)構(gòu)解決方案、中子TOF和非標(biāo)準(zhǔn)Rietveld的細(xì)化,沒有任何差異。 在如何處理數(shù)據(jù)輸入如何處理峰值匹配方面有一些不同。 對于標(biāo)準(zhǔn)的Rietveld細(xì)化,TOPAS提供了Windows對話框的使用。 索引是不同的,但在整體上是相似的——在這里再次看到教程。
操作系統(tǒng)要求如下: Version 6 runs on 32 or 64 bit Windows 7, 8 or 10 The 64 bit version utilizes 64 bit addressing allowing all of memory to be utilized
軟件操作界面:
英文簡介: Version 6 of TOPAS-Academic is now available to: 1) Degree-granting institutions comprising universities, university run institutes, laboratories and schools.
2) Synchrotron and neutron research centers.
In both cases use is for research purposes and not for commercial clients of the institution.
TOPAS-Academic comprises all the functionality of BRUKER-AXS TOPAS operating in Launch mode including all graphics and OpenGL structure editor and viewer. Launch mode is where the full functionality of TOPAS is realized.
What is TOPAS-Academic?
TOPAS-Academic is a Windows based general non-linear least squares system driven by a scripting language. Its main focus is in crystallography, solid state chemistry and optimization. At the core of TA is its superb minimization routines wrapped by a computer algebra system; it is this foundation that makes subject dependent modules such as Rietveld refinement shine. The main features include: Computer algebra system for function minimization and for the application of linear/non-linear constraints. A fully functional Rietveld program for laboratory x-ray diffraction, synchrotron, single crystal and neutron fixed wavelength and TOF data. A simulated annealing algorithm for all systems including structure solution in real space from powder, neutron, neutron TOF and single crystal data. An indexing algorithm. A command line program called TC.EXE which comprises the Kernel of TA; used for batch processing. Tutorials describing the functionality of TOPAS-Academic, courtesy of John Evans, can be found here.
Who is it for?
TOPAS-Academic is for scientists and PhD students working in the fields of crystallography, solid state chemistry, optimization and function minimization in general. Requests for TA without crystallographic modules or as a teaching aid should be made to the author. Input to TOPAS-Academic - Writing INP scripts
TOPAS-Academic/TOPAS comparison? There is no difference between the kernel of TA and Bruker-AXS TOPAS for the same version number. TA will always comprise the latest kernel. There are no differences in regards to single crystal refinement, structure solution, neutron TOF and non-standard Rietveld refinement. There are some differences in how data input is handled for peak fitting as seen in the tutorials . For standard Rietveld refinement then TOPAS offers the use of Windows dialogs. Indexing is different but on the whole similar - again see the tutorials. |
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會員級別:免費(fèi)會員 |
加入時間:2017-07-31
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