Finite Element (FE) Model Viewer

This module is used to display, and export FE solutions fitted to velocity experiments by various methods. The program can import models from finite element nonlinear fitting sessions, from 2-dimensional spectrum analysis fits, from genetic algorithm fits, and from C(s) fits. The program will then compare the fitted model to the experimental data and display residual plots, sedimentation and diffusion coefficent distributions, as well as molecular weight distributions. The model can be displayed as a 3-dimensional plot showing the partial concentrations mapped onto a 2-dimensional grid of any two of the following parameters: s, D, f, f/f ₀ , and MW. Residual plots including deconvoluted time- and radially-invariant noise plots can also be displayed. The results can be saved for inclusion into a velocity result report.

The main Compare Experiment to Finite Element Solution window may need additional controls when the model loaded includes Reversible Associations (RA). These controls can be revealed using the Advanced Analysis Controls button to invoke a separate dialog.

Compare Experiment to Finite Element Solution

Functions

Load Experiment	Click here and, in the resulting Load Data Dialog, select an edited data set to load.
Run Details	Pop up a dialog showing Run details.
Latest Data Edit	Uncheck to allow choosing an edit other than the latest one for the raw experimental data.
Database	Select to specify data input from the database.
Local Disk	Select to specify data input from local disk.
Load Model	Load model data, choosing a model in a Model Loader dialog. If appropriate noise exists, you may also be presented with a `Noise Loader dialog <load_noise.html>`_ to select time-invariant and/or radially-invariant noise vector(s) to load.
Simulate Model	Run a simulation and display results. For details on the results of clicking this button, see Simulate Model Results.
View Data Report	Generate a report file and view it in a dialog.
Save Data	Generate reports and save to file.

Simulation Plot: Bar plot of the selected distributions. The choices are as follows:

• Residuals - Residuals scatter plot.

• s _20,w distribution - s _20,w distribution bar plot.

• MW distribution - MW distribution bar plot.

• D _20,w distribution - D _20,w distribution bar plot.

• f/f ₀ vs s _20,w - f/f ₀ versus s _20,w 2-D plot.

• f/f ₀ vs MW - f/f ₀ version MW 2-D plot.

• D _20,w vs s _20,w - D _20,w versus s _20,w 2-D plot.

• D _20,w vs MW - D _20,w versus MW 2-D plot.

Information for this Run:

Run ID / Edit ID:	The Run identifier string and the Edit identifier (generally a time string) are displayed for loaded edit.
Average Temperature:	The average temperature over all the scans of the loaded data.
(experiment description)	A text string is displayed giving a fairly detailed description of the experiment.

Cell / Channel / Wavelength: One or more rows of data edit triples. If more than one, click on a row to select it as the data of interest.

Experimental Parameters (at 20°C):

Solution	Click this button to open a Solution Management that allows changes to buffer and analyte characteristics of the data set.
Density	Shows the density value for the loaded experiment. Click the Solution button to open a dialog in which density and other values may be changed.
Viscosity	Shows the viscosity value for the loaded experiment. Click the Solution button to open a dialog in which viscosity and other values may be changed.
Vbar	Shows the vbar value for the loaded experiment. Click the Solution button to open a dialog in which vbar and other values may be changed.
Compressibility	Compressibility value for the loaded experiment. The value shown here is set in Solution/Buffer dialogs, but may also be modified in this text box.
Variance:	Variance value (square of RMSD) for residuals.
RMSD:	Root-Mean-Square-of-Differences for residuals.
Advanced Analysis Controls	Click to reveal an Advanced Analysis Dialog, with options to set parameters related to Reversible Associations (RA) models or to show details on model components.
3D Plot	Show a dialog of plot controls for a 3-dimensional model plot. See 3-Dimensional Plot Controls Details.
Residual Plot	Show a plot dialog with a more advanced set of data/residuals/noise plots. See Simulate Model Results.

Window Controls

Reset	Indicate that window is reset and the plots are initiated.
Help	Display this detailed van Holde-Weischet Analysis help.
Close	Close all windows and exit.

Advanced Analysis Dialog

As raw data is collected, the temperature (°C), rotor speed (RPM), and time interval between scans (min) are recorded. The Run Details module enables users to view variations in temperature, rotor speed, and scan intervals—both for individual triplicate scans and across the entire run.

FEMatch Advanced Controls Dialog

Advanced Control Functions

Simulation Points:	Specify simulation points.
Band-loading Volume:	Specify a band-loading volume value.
Parameter:	Choose a parameter value.
Show Model #	Choose a model number.
(mesh type)	Select from one of several mesh types, including Adaptive Space Time (ASTFEM), Claverie, Moving Hat, user File, or Adaptive Space Volume (ASVFEM).
(grid type)	Select a moving-time or constant-time grid type.
Help	Display this and other documentation.
Cancel	Close this dialog and exit with no selections made.
Accept	Close the dialog and communicate selections made here to the calling dialog.

Related

Simulated Finite Element Model Viewer

2-Dimensional Spectrum Analysis