Buoyancy Equilibrium Data Analysis

Caution

This module is designed to determine the density and partial specific volume of peak positions in a gradient forming solution at equilibrium, for example, in analytical buoyant density gradient experiments (ABDE) experiments. The model’s original numerical calculation does not take into account certain non-ideality conditions encountered in CsCl, a topic that is currently under investigation. Until an update is available, the density results obtained in CsCl gradients could be inaccurate.

ABDE Analysis Main Window

Peak Decomposition

Spectrum Fitter

Spectrum Fitter

Peak Decom. Functions:

Dataset Info:	Displays information about the currently selected dataset used for buoyancy equilibrium analysis.
Database	Selects data from the database as the source for analysis.
Local Disk	Selects data files stored on the local computer.
Load Data	Loads the selected dataset into the Peak Decomposition window.
Run Details	Displays details for the loaded run, including experiment and scan information.
Cell /Channel/ Wavelength:	Shows the selected cell, channel, and wavelength for the current dataset.
Speed Step (RPM) of Triple:	Displays the rotor speed step associated with the selected triple.

Experimental Parameters

Meniscus Position (cm):	Displays or sets the radial position of the meniscus in centimeters.
Rotor Stretch (cm):	Displays the rotor stretch correction applied to the measurement.
Centerpiece Bottom (cm):	Displays the radial position of the centerpiece bottom.
Speed-corrected Bottom (cm):	Displays the bottom position corrected for rotor speed effects.
Buffer Density (g/ml):	Specifies the density of the buffer solution.
Temperature °C:	Displays or sets the experimental temperature in degrees Celsius.
Loading Density (g/ml):	Specifies the density of the loaded sample.
Gradient Mat. vbar (ml/g):	Displays or sets the partial specific volume of the gradient material.
Gradient Mat. MW (g/mol):	Displays or sets the molecular weight of the gradient material.
Peak Sigma Value (cm):	Specifies the Gaussian peak width used during decomposition.

Peak Parameters

Peak name/label	Displays the name or identifier assigned to the selected peak.
Peak Position (cm):	Displays or sets the radial position of the selected peak.
Peak Density (g/ml):	Displays the density corresponding to the selected peak position.
Peak vbar (ml/g):	Displays the partial specific volume associated with the selected peak.
Gauss area (1% of total):	Displays the Gaussian peak area as a percentage of the total signal.

Peak Editor

Delete Current Peak	Removes the currently selected peak from the decomposition model.
Add Peak Manually	Adds a new peak manually to the model for fitting and analysis.

Peak Fitting

Fit All Triples	Fits all available triples in the dataset using the current peak decomposition settings.
Fit Current Triples	Fits only the currently selected triple.
Fitting Progress:	Displays the progress of the fitting operation.
View Reports	Opens reports summarizing the peak fitting results.
Reset	Resets the current fitting parameters and results.
Help	Opens the help documentation for the Peak Decomposition window.
Close	Closes the Peak Decomposition window.

Profile Normalization

Spectrum Fitter

Profile Norma. Functions:

Load Data	Loads one or more files for profile normalization.
Reset Data	Clears the current normalization results and restores the original data.
Close	Closes the Profile Normalization window.
Save	Saves the normalized profile data.
List of File(s)	Displays the available files selected for normalization.
Selected File(s)	Shows the file or files currently chosen for processing.
Remove Item	Removes the selected file from the processing list.
Clean List	Clears all files from the current list.
Limit radius	Restricts the normalization range to a selected radial interval.
Pick Two Points	Allows selection of two points to define the normalization or integration range.
Normalize by Maximum	Normalizes each profile using its maximum signal value.
Pick a Points	Allows selection of a reference point for normalization.

Plots

Raw Data	Displays the original unprocessed data profiles.
Integral	Displays the integrated signal across the selected radial range.
Normalized	Displays the normalized data profiles.
Legend	Shows or hides the plot legend identifying the displayed datasets.