Control

Database

Open Access Data

Under construction

Experiment Search

Metadata for each dataset (user, group, title, experiment, solvent etc.) are stored in SQL database which allows to search instantly through large quantities of NMR data-sets stored in the data-store. For each experiment users can perform several actions:

  • Download the whole data-set as a zip file.
  • Open PDF file that was automatically generated by instrument by processing au-program.
  • Inspect the spectrum using our build in viewer.
  • Select the experiment and add it into a “compound container”.

Compound Container

Individual experiments can be picked from data-sets and reorganised in “compound-container” where user can add additional metadata such molecular structure and multiplet/chemical shift reports. Users can perform following actions on the compound containers

  • Download the compound container in form of a zip file.
  • Generate a link that allows to share the compound with other users or make a reference in a document.
  • Edit the compound container allows to add or amend experiments and metadata. Any changes to the compound container are stored in the change log file.
  • Add the compound into a larger project container.

Experiment Search

Metadata for each dataset (user, group, title, experiment, solvent etc.) are stored in SQL database which allows to search instantly through large quantities of NMR data-sets stored in the data-store. For each experiment users can perform several actions:

  • Download the whole data-set as a zip file.
  • Open PDF file that was automatically generated by instrument by processing au-program.
  • Inspect the spectrum using our build in viewer.
  • Select the experiment and add it into a “compound container”.

Spectrum Viewer

Individual 1D and 2D experiments can be quickly inspected directly in your web browser without need to download the whole data-set or compound container. A new version of the viewer with ability to perform basic analysis of NMR spectra such as peak picking, integration and automatic multiplet analysis is currently in pipelines and we hope to add it into the next update release.

Project Container

Compound containers can be organised in projects that allow further annotation and sharing of data with other NOMAD users. The whole projects can be compressed into a zip file and downloaded. The “Publish” action button is planned to be used in future to make the NMR data stored in the NOMAD project publicly available.

Accounting Reports

Accounting reports can instantly summarise machine time used by individual users and groups together with storage space for data into a table that can be exported as and MS Excel file. Cost associated with instrument usage can be also calculated. Calculations can be carried on for certain instruments and range of dates.    

Manual Experiments

 NOMAD database can also work in “DropBox” mode by watching a folder where NMR data are stored in Bruker format. For any new data-set that arrives in the folder, meta-data are stored in the database. In order to get access to data, users have to claim data-sets. This action adds additional meta-data into database and enables actions such viewer and download. Both claimed and unclaimed data-sets can be filtered using the wide range of metadata. Used machine time and storage is included in the accounting reports. A workflow that would allow to add experiments from manually claimed data-sets into compound containers is currently in the works.  

Under Construction