SpecManLite

Spectral Data Management and Analysis for 1D

(Spectral Data Management and Analysis - 1D)

Provides an interactive graphical analysis tool for scientists working with a variety of 1D 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 NMR data processing programs from within SpecManLite. For info on 1D NMR data processing with IQ-NMR, click here. For info on 1D NMR data processing with NUTS, click here.
Enables tied expansions of multiple 1D spectra for comparison.

Analysis of Multiple Spectra in Tied Mode

Provides manual peak picking of singlets and multiplets with options to merge peaks, add peaks, delete peaks and refine peaks.
Performs automatic 1D peak picking and creates peak tables for editing, sorting and saving of the results.
Enables manual 1D Peak integration.
1D Peak Integration of Proton Spectrum
Imports predicted spectra for comparison and assignment of experimental data.
Annotates peaks with alphanumeric and greek letters.

Automatic 1D Peak Picking with 1D Peak Table

Automatic assignment of methyl, methylene and quarternary carbons using 1D Carbon and 1D DEPT/APT peak lists.
Compares experimental 1D spectra with third-party spectral databases.
Allows copying and pasting of 1D spectra, structures, peak lists and assignment tables into word processing documents for quick report generation.
Imports structure files (mol, mdl and sdf) to enable manual spectral assignment.

Easy Manual Assignment with Point and Click of Chemical Shifts

Exports complete or expanded regions of spectra in native vendor formats, as well as in gif, pdf, and postscript formats for display and analysis in web browsers.
Provides tools for creating custom databases of 1D spectra, structures, peaks tables and assignment tables for browsing, searching and comparison with other data.

Display of Molecule with Assignment Table