MWL Pre-Fit Species Simulation

Generate simulation based on mw- runs

This module is used to simulate an experiment using Finite Element (ASTFEM) or Finite Volume (ASTFVM) methods. A model is loaded from the database or from local disk. Simulation parameters are specified. A simulation is then calculated and displayed. The simulation may be saved as a synthetic version of raw experimental data. If model and simulation parameters indicate ideal conditions, the default method is Adaptive Space Time Finite Element Method (ASTFEM). For non-ideal cases - such as concentration dependence, co-sedimenting, or compressibility, the default is Adaptive Space Time Finite Volume Method (ASTFVM).

MWL Pre-Fit Species Simulation main window

Process:

1. PreFilter Models: Select the pre-filter to find the distribution models.

2. Select Model: Load the models on which the simulation will be based. 2DSA-IT models are best to base

3. Define Buffer: Optionally (and rarely), you may wish to specify buffer conditions. This may be necessary if your intention is to simulate and save an artificial version of a specific experimental data set. Normally, the buffer conditions are those of water at 20 degrees Centigrade.

4. Simulation Parameters: Secondly, open a dialog to specify parameters governing the simulation.

5. Select Rotor: Load the rotor and rotor calibration used in the pre-filter models.

6. Start Simulation: Initiate calculation of the specified simulation. (If an error has occurred, users can stop the simulation by clicking Stop Simulation)

7. Save Simulations After simulation, users can save the results to disk.

Simulated Dataset

Functions:

PreFilter Models	Load a run dataset as a Prefilter using the “Select Run(s) as Models Pre-Filter (DB)”.
Select Models	Select the distributions to base simulation on in the “Load Distribution Model(s). Click and drag to select multiples model distributions. Click on Select Models first to select models across runs.
Define Buffer	Open the Buffer Management dialog to select the buffer the simulations will use for density and visocity values.
Simulation Parameters	Click to set the Simulation Parameters profile.
Select Rotor	Click to open the Rotor Management dialog. Set the Rotor type and the associated calibration profiles for the simulation.
Start Simulations	Once all parameters have been entered, click to start simulation.
Stop Simulations	Click to stop simulation.
Save Simulations	Save simulation once generated. Simulations are saved in $HOME/ultrascan/imports/
Run ID:	The Run name automatically generated for simulations. Simulations will have the “ISS-” prefix.
Triple:	The Triple initially loaded using Select Models.
Help	The Help documentation of this “MWL Pre-Fit Species Simulation” Module.
Close	Close window.