INTRODUCING ANALYTICAL RESULTS DATABASE (ArDB): INTUITIVE DATABASE MANAGEMENT, DATA VISUALISATION AND QUALITY CONTROL M. Sudnik1, M. Seed1,. and K. W. R. Taylor 1 1 Elementar UK Ltd, Product Marketing, Stockport, United Kingdom. Why do we need ArDB? • • • • • • • Designing, building and maintaining a database can be difficult Databases are critical to many applications Most databases evolve over time and can become difficult to maintain Designing, building and maintaining a database is not always straight-forward Performing in-depth statistical analysis usually requires a third party tool Sharing analytical results securely for further collaborative analysis can be difficult Modern database requirements go beyond simple data storage Finding a database platform with all the features required of a scientific database is difficult • • • • • • • • What is ArDB? • ArDB is a Scientific / Analytical Results Database Management System (e.g. IRMS, EA, GC, GC-MS, LC-MS, ICP-MS, etc.) • ArDB brings key features from several software platforms into a single solution (Databases, Spreadsheets, Statistical packages, Laboratory Information Management Systems, Scientific Notebooks) and goes beyond • ArDB is a purpose built database management system to contain analytical results and associated metadata • ArDB goes beyond simple data storage by making the data easily accessible for use with inbuilt analytical tools and visualizations • ArDB meets the requirements of a scientific database as standard (Security, Permissions, Accessibility, Validation, Consistency, Publishing, Versioning, Auditing, Visualizations, Analytics, Sharing, Collaboration, etc.) How should the database be structured? Where will the database be stored? Local? Network server? Cloud? How to secure the database? Permissions? Audit trails? What will the database be used for? Integrations into other software? How big will the database become? Fast querying? How to ensure data concurrency with multiple users accessing data? How to handle metadata? Consistency in metadata? How will the database scale with new research ideas and themes? Acquisition date Temperature Species Name Region Plant species Distance Purity Fig. 1 Centralised data makes collaboration easy Altitude Windspeed Latitude Sampling person Depth Soil type ph Humidity Diet Fig. 2 Example Metadata Pressure Who might use ArDB? What results can be stored in ArDB? • Because there are no limitations on the types of data that can be held within ArDB, it is compatible with many applications • Work collaboratively with other research groups to build a common database, either locally or internationally • ArDB is supplied with a snapshot of the Global Network of Isotopes in Precipitation (GNIP) database ArDB offers extended professional results management, analytics and visualization capabilities for all forms of analytical techniques: • • • • ArDB Key Features What does ArDB look like? Centralize IRMS EA GC GC-MS • LC-MS • ICP-MS •… Instantly group your data by parameters such as country, site name, result type, etc… Visualize Sort by columns Pin columns and row Choose to add an interesting chart to the Report tab, add another chart to see charts side-by-side Filter your data to extract only the data you need • Central database for your results • Multiple clients to a single database • Data stored on a local network or in the cloud • Greater consistency and reliability of data Collaborate • Work with collaborators on data in the cloud • User access levels and permissions protects data integrity • Scalable cloud storage and seats for your projects Integration with Elementar Instruments • Automatically pass calibrated results from instruments to ArDB • Generate sample lists in ArDB, send to instrument • Use ArDB to evaluate instrument performance over time • Plot data on 2D and 3D charts • Use ArDB as a Geographical Information System and plot results on local, regional or global maps • Color scaled data for visualizing spatial variations • Column, bar and scatter charts Search your data by any parameter • Simply perform multivariate analysis such as PCA & LDA • Analyze unknown samples against the database • Run customized R Statistics scripts directly in ArDB Data Security & Trust • Data only accessible to users with correct credentials • Versioning and audit trails with publish / draft status • Roll-back to previous versions • SSL security protects data sent to / from server • Advanced filtering within workspaces • Grouping by fields and automatically averaging (or aggregating) fields • Use R statistics to extend in-built functionality while taking advantage of ArDB data management and visualization features • Built in multivariate analysis (Principle Component Analysis, Linear Discriminant Analysis), clustering analysis, etc. Select series of interest to investigate how a local data set compares to the global data set Perform Calculations Manage R scripts Submit test samples Each sample has a unique ID Export your results to Excel Adding extra layers to your chart allows you to overlay other charts to the view See publishing state of your data Versioning of data provides an audit trail to track changes Add a trendline to your data set Fig. 3 Grid view Statistics Advanced Queries, Analytics and R Statistics Fig. 4 Charts view By grouping data by country and sample site name all data is aggregated allowing data to be plotted as a single point Edit the chart directly in the Report view or send it to a new tab to re-work the chart Smart Date functionality makes it simple to filter data by date periods so temporal variations (e.g. seasonal) can be evaluated Submit test samples for testing against the database. Interpolate between points to generate estimated values Add as many charts, grids and maps to a report view as you like Save image as a vector file to use graphic in publications and reports Drag window edges to resize windows. Rearrange panels to organize the report view Select a data point and send to a new tab for more detailed investigation Scalable color gradients make it possible to isolate particular result regions Points can be plotted discretely according to the color scale, or interpolated to generate an “isoscape” Pan and zoom 3D charts directly in the report tab Add layers to a map to show country, state and local boundaries as well as major geographical features Fig. 5 Maps view Fig. 6 Reports view Data Quality Control with Ar ArDB • Analysis results can be stored in ArDB • Results can be combined from multiple instruments • Automated recording of performance metrics • Data can be grouped by instrument, date, user etc… to evaluate quality. • Mean, n, SD, CV and Z-score calculated ArDB uses the Shewhart Tests to determine data quality: results that fail a Shewhart test are clearly indicated Getting started ArDB Plans Cloud On-premises • • • • • • • Hosted on your own server and protected by your IT • 5 perpetual seats • Unlimited number of databases • Unlimited number of records • 12 month server license support Hosted on Elementar ArDB Cloud Unlimited number of databases Low cost monthly subscription Scalable number of seats Scalable cloud storage Continuous upgrades Choose to render your data as a scatter, column, line or area chart in either 2D or 3D • It is easy to import your existing databases • Talk to us about how we can help you migrate your data • We can help you import your data so that you can get the most out of an ArDB free trial Check out your 90 day free trial at www.ardb.info For more information, including support material, documentation and videos, please visit www.ardb.info