The principle behind PoreBatch is to make PoreXpert easy to use and to optimise the computer processing time so that if a list of operations needs to be completed a user can add all of the operations to the list and then let PoreXpert calculate the results and generate the reports automatically without the user having to start the operations manually, leaving the user free to work on other tasks.

 

The software PoreXpert automatically determines if your computer can perform parallel processing of operations in the operation list by examining the computer architecture. We recommend a minimum of four cores on your computer to get the most benefit from the PoreXpert Smart Batch.

 

PoreBatch looks at the list of operations in the operation list and determines the order in which operations need to run to minimise the time taken to run the complete operation list.

 

The fitting and building operations from the initialisation operations can be run using PoreBatch. The fitting operation can be run simultaneously with other fitting operations so a common batch file that is used, is one that determines the best structure type to use with your experimental data, by comparing the fitting distance on a small unit cell and then creating a large unit cell, to use for subsequent operations. The building operation has a choice to use the best fit, or the most recent fit when building the cell, and if you use the best fit you can have one building operation at the end of the fitting operations which builds the best structure for the experimental data.

 

The calculation and analysis operations can be run at the same time as each other and work with the building operation above the calculation operations. For a practical example of how PoreBatch operates please follow the PoreBatch Tutorial.