| Chemical Structure and NMR Data Storing. Database all of your 1D NMR data, chemical structures, assignments, parameters, user data, etc. In conjunction with other modules that can be acquired for ACD/SpecManager, you can construct universal databases that unite complementary data types. In addition to 1D NMR spectroscopy, you can also support with the appropriate modules for 2D NMR, Mass Spectrometry, and UV-IR, along with analytical curves and chromatograms all in the same database interface. |
ACD/SpecManager |
| Vendor-Neutral Processing. Simplify collection and processing of NMR data from all of the major instrument vendor formats. |
View input formats here. |
| General Processing and Analysis. Apply general processing features: zero filling, linear prediction, weighting functions, interactive apodization, Fourier Transform, phasing, etc. Apply the industry's leading baseline correction and advanced integration routines used by Metabonomics scientists worldwide. |
Download the demo movie here. |
| Automated Desktop Processing and Analysis. History files are automatically kept to track the processing steps performed on a spectrum. From here, you can create your own automated processing and analysis procedures to perform on your raw data with the click of a button. |
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| Spectrum and Structure Integration. NMR assignments can be retained within the spectrum file. By simply attaching chemical structures to a spectrum, you can assign atoms to spectral objects such as peaks, regions, or multiplets. This allows you to retain the assignments of your NMR spectra forever. |
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| Automated Multiplet Analysis. No more rulers! Automatically analyze multiplet patterns with a single mouse click using the J-Coupler tool. Instantly generate a formatted multiplet report for patents, reports, and publications. |
Download the demo movie here. |
| Quantitation Studies. Measure a wide variety of spectrum responses with the Quanalyst tool for quantitative applications (sample degradation, polymers ratio determination, structure-spectrum correlations). Display the resultant curves on the graph and pass to ACD/Curve Manager for regression analysis. |
Download the demo movie here. |
| Create Professional Quality Reports. You can instantly create reports in ACD/ChemSketch that contain spectra, chemical structures, multiplet reports, assignment tables, and more. Report templates can be created to meet your specific needs, and easily pasted into an Electronic Lab Notebook. |
Download the demo movie here. |
Key Capabilities with ACD/HNMR and/or CNMR Predictors |
| Compare Experimental and Predicted Spectra. When integrated with ACD/Labs NMR Prediction software, ACD/1D NMR Processor allows you to compare several calculated NMR spectra simultaneously with an experimental spectrum. The spectra can be compared from top to bottom, or predicted spectra can be overlaid to serve as an assignment guide. |
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| Assisted Structure Verification. Acquire an unbiased evaluation by measuring how well a particular structure corresponds to an experimental spectrum through the comparison of experimental and predicted chemical shifts, and precise matching of multiplet properties.
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Download the demo movie here. |
