先说说这个软件，破解版，至少我现在用着还没有见到有时间限制。
一款对1D和2D数据进行NMR光谱分析的软件。 SPECTRUM RESEARCH提供了一系列的光谱[频谱]分析, 解读和结构说明的产品. 包括: SPECMAN LITE: NMR 1D数据的光谱[频谱]分析软件. SPECMAN: NMR 1D,2D 数据的光谱[频谱]分析软件. SPECMAN PRO: NMR 1D, 2D和ND数据的光谱[频谱]分析软件. NMR-SAMS: 电脑协助分析NMR数据的软件 NMR-SCAPE: 13C NMR化学转变预测的模拟软件 CHORDS: NMR光谱模拟软件 IQ-NMR: 1D数据处理和智能定量NMR分析软件. SAMS: 结构说明和新化学物质(NCE)生成软件.
看看官网
http://www.specres.com/的说明吧：
SpecMan
(Spectral Data Management and Analysis)
- Provides an interactive graphical analysis tool for scientists working with a variety of 1D and 2D spectroscopic data.
- Imports a variety of formats (Bruker, Varian, JEOL, NMRPipe, NUTS, Felix, JCAMP, Galactic, Triad, NMR-Compass, etc.) of processed spectrum files for concurrent display and analysis in multiple views.
- Enables the user to access 1D and 2D NMR data processing programs from within SpecMan. For info on 1D NMR data processing with IQ-NMR, click here. For info on 1D and 2D NMR data processing with NUTS, click here.
- Provides tools for tying the axes of 1D and 2D spectra to perform concurrent expansions and for overlaying 2D spectra.
Analysis of Multiple Spectra in Tied Mode
- Extracts chemical shifts and other spectral parameters by using sophisticated peak picking procedures including grid-intelligence based peak picking to filter noise ridges, merge peaks and pick cross-peak multiplet centers. Enables peak editing with manual options to add, remove and merge peaks. Grid-Intelligence Peak Picking Discriminates Noise from Real Peaks
- NEW! 1D Peak Integration and 2D Peak Volume Computation with NOE distance calibration.
- NEW! Imports predicted spectra for comparison and assignment of experimental data.
- NEW! Enhanced Peak Annotation capabilities.
- Enables overlay (with or without chemical shift offset) of spectra in different colors for comparison and analysis.
Overlay of HMBC on HMQC spectrum
- Provides tools for importing structure files (mol, mdl and sdf) for manual spectral assignment.
- Exports complete or expanded regions of spectra in native vendor formats, as well as gif, pdf and postscript formats for display and analysis in web browsers.
- Prepares NMR-SAMS input data along with spectral correlation tables.
- Advanced report generation tools allow the user to copy and paste spectra, structures, peak lists and assignment tables into word processing documents with the click of just two buttons.
- Creates custom databases of spectra, structures, peak tables and assignment tables for browsing, searching and comparison with other data. Imports spectra, molecular structures and peak assignments from third-party spectral databases.
Display of a Custom Database.
- Prepares input data along with spectral correlation tables for automated structure elucidation in NMR-SAMS.
- Enables cursor-based measurement of coupling constants.
Molecule with Assignment Table
Applications
- Extraction of spectral information required for automated 2D structure elucidation and spectral assignment of known and unknown chemical compounds.
- Extraction of mass and retention times from HPLC-MS data to identify the component compounds in the mixture.
Hardware Requirements
- Silicon Graphics workstations (Irix 5.x, 6.x)
- Sun Workstations (Solaris 2.5 & above)
- Windows NT 4.0 or greater and Windows 95/98/2000.
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本帖最后由 maoguoqiang 于 2010-10-6 16:48 编辑 ]
