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News
Latest
June 15, 2022
- Released NP-MRD Version 2.0
- Increased the number of NP-MRD compounds 7x (41,1140 -> 289,617)
- A new version of NMR Search has been released! We have added Partial Searches, that allows you to search for spectra with only a subset of query peaks. Overall search improvements have been made over all forms of searches. Exact mass filter was added to speed up search queries
- Added a JSpectraViewer as a separate utility in order to visualize user submitted nmrML Spectra files
- Added a new utility (NMRDex) for conversion between different formats of Spectral data
- Increased the number of Predicted Spectra by 12x (411,890 -> 5,043,694)
- Improved 1H and 13C NMR Spectrum prediction algorithms (PROSPRE and CASPRE) respectively. The forms for predicted spectra submissions have been improved as well
- Increased the number of user deposited spectra (165 -> 19,045)
- Improved Embargo system that allows users to publicly release deposited spectra after a set time period of their choosing
- Improved Downloads page that allows downloads spectral data with subset of Natural Products; Added User Deposited Spectra downloads
Coming Soon
TBA
Archive
June 15, 2022
- Released NP-MRD Version 1.1
- Increased the number of NP-MRD compounds (40,908 -> 87,290)
- A new version of NMR Search has been released! Check out the new and improved Mixture and Pure Compound Searches
- A new NMR file conversion utility has been added to the utilities menu
- Improved Natural Product Mixture deposition options, adhering to the NCCIH Natural Product Integrity guidelines
April 20, 2022
- Spin matrix utility can now display results in JSpectraViewer
- A new frequency filter has been added to NMR Search
February 28, 2022
- Support for HSQC and TOCSY FID file deposition in Bruker format has been added.
- A new Natural Product Mixture NMR FID deposition option (deposition option #4) has been added.
February 14, 2022
- New NMR Search range search options have been added. Search speed has been improved.
- A 'DFT Assignments' button has been added to the NP-Cards for some compounds. This allows for the visualization of DFT assignments inside JSmol.
- NP-MRD can now process depositions for HSQC NMR Data in Bruker format.
- JSpectraViewer has been enhanced with contours and drag-to-zoom for 2D Spectrum viewing.