1. Background:
Currently CCP4i puts each structure determination into a separate project directory, and automatically keeps a “Project History Database” recording information for each job run:
Date
Taskname
Title entered by the user
Status (finished, failed, killed, etc)
Parameters used to run the job
Lists of input & output files
Optional annotation via electronic notebook
Advantages:
automatically organises data
easy to review project progress, parameters, input & output
allows backtracking & branching (i.e. rerun with slightly different parameters)
Disadvantages:
The GUI and database are mixed at code level, so the database is only accessible from within CCP4i
Cannot produce summaries of the project
Difficult to trace back paths through project history e.g. for errors or to determine provenance of data

2. Aims Workplan Enable visualisation of CCP4i project history data:
different presentations of CCP4i project history information
independent GUI for visualisation and interaction with the database
Enable searching through project history:
determine paths (logical- and data-flow)
identify source of particular data items
identify points in history tree where failures occur
Enable access to data required by applications:
extract/supply data from/to CCP4i database to applications (CCP4/non-CCP4)
extract/supply data from/to other databases (e.g. LIMS, facility database etc)
Workplan
Separate Project History Database from CCP4i:
allow access (read & write) for (non-CCP4) applications
allow multiple users to access single database simultaneously
allow access across distributed computing environments
Enable data tracking within projects
identify and store additional information to infer previous/next steps
enable communication with multiple database backends (SQL, XML, …)
interactions with external databases to fill in gaps

3. CCP4i Synchrotron Database Application “X” Database Server CCP4i
Crystallisation
Database
Project History
Database
Visualisation
GUI
Remote Systems
Remote Systems

4. Separate Project History Database from CCP4i:
Aims & Workplan
Separate Project History Database from CCP4i:
allow access (read & write) for (non-CCP4) applications
allow multiple users to access single database simultaneously
allow access across distributed computing environments
Enable data tracking within projects
identify and store additional information to infer previous/next steps
enable multiple database backends (SQL, XML, …)
interactions with external databases to fill in gaps
Visualisation of project history data
different presentations of project history information
independent GUI for visualisation and interaction