In order to be able to re-run experiments, we had to construct a database where bioseparation experiments could be stored, and we had to define a format for the stored data. As a result, the user can now choose to save an experiment from either the physical or virtual modes. After the user specifies the input to the experiment, BioSoftLab collects all the information necessary to identify the experiment and records it in a file with predefined format. This includes physical characteristics of the solutions, physical dimensions of the column and the tube, etc. This data file is stored in the database where it can be retrieved at a later time. If the user is performing a virtual experiment, the datafile generated by BioSoftLab (and used as input to the simulation module, VERSE) will also be stored in the database.
Running the physical experiment or the simulated experiment generates various mode-dependent data files. In the case of a physical experiment, if the user opted to retrieve the detector-generated data from the PC, a file showing the concentration at the end of the column is the only file output during the experiment. In the case of a simulated experiment, the user specifies whether a history file (time-dependent end of column concentration) and/or a profile file (time-dependent concentration along the entire length of the column) should to be generated by VERSE, as well as whether PDELab format files should be generated. These output files are all stored into the database together with the input file.
With all the files required to define an experiment now stored within the database, the user is able to re-play an experiment. Selecting the Playback mode from the BioSoftLab menu, presents users with the following choices:
After the user selects an experiment for playback, BioSoftLab displays the input to the experiment: physical or virtual. In the case where users are comparing physical data to simulated data, both the physical and simulation input will be displayed. The virtual input is displayed in a format similar to that of the physical input, except that information about the components and reactions is also included.
If the user is simply reviewing the output data corresponding to a virtual scenario, the column profile data will be displayed (if it has previously been saved). Next, in both the physical and the virtual scenarios, an animated histogram of the concentration at the end of the column will be displayed on the virtual PC monitor. In the hybrid case, when the user is comparing physical data to the simulation results, both the detector-generated histogram and the corresponding VERSE-generated histogram will be displayed on the virtual PC, so that the results can be compared.
Comparison of the input to the physical and virtual scenarios
Even though the actual input and output is displayed as part of the Playback tool, there is currently no information saved which shows how an experiment progresses over time. A next step would be to enhance the database so that additional intermediate results could be stored which would allow bioseparation scientists to "run" an actual animation of the experiment, instead of viewing a sequence of static presentations of the data.