NP-MRD: News

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

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

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.

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.

News