release version 11.8 (June 09)

05/58/09: * fix bug that caused instances where fitted line in plots of isotherm fits was drawn wrong
05/20/09: * modify 2d distribution integration
05/20/09: * fix bug causing intermittent crash in Bayesian analysis of 2d distribution
04/27/09: * enable Monte Carlo for 2d distributions
04/28/09: * incorporate HYDROPRO access as a calculator function

renamed version 11.74
03/12/09: * rotor speed estimator for SE in calculator functions
03/11/09: * minimum time to equilibrium estimator in the calculator functions
03/04/09: * general scaling law model for c(s)
03/04/09: * supress warning about meniscus and bottom fitting limits when not fitting meniscus and bottom
03/04/09: * make wwt option switch back after done with ls-g*(s)
03/04/09: * don't flag fluorescence data for too steep gradients
03/04/09: * make user-defined time interval for updating the best-fit plots during fits
03/04/09: * make model for bimodal frictional ratio with extra species
03/05/09: * allow integrating particle size distributions from DLS

renamed version 11.73a
09/15/08: * include corrections for time-offests in absorbance scans accounting for the scan time from first data point to meniscus

renamed version 11.72f
08/21/08: * make Lamm equation parameter box ask about saving only when anything changes
08/21/08: * rearrange memory allocation at startup for better stability

renamed version 11.72e
08/21/08: * fix overflow error for back-diffusion test of very large species for low values of right fitting limit



renamed version 11.72c
08/07/08: * fix bug for data that start the comment line with a filetype identifier character

renamed version 11.72b
08/01/08: * fix instability when fitting limits are not set
08/01/08: * fix bug occasionally adding integral offset to dissected 6-channel data
07/31/08: * suppress repainting when loading files and entering parameters.
renamed version 11.72
07/25/08: * fix question to set meniscus and bottom when fitting DLS data
07/25/08: * change compiler optimization settings (Pentium)
07/25/08: * make user defined defaults for Lamm equation parameters

renamed version 11.71
07/16/08: * flag gradients that exceed an upper limit
07/15/08: * flag when rotor acceleration is unusually slow (likely error arising from temperature equilibration at 3000 rpm)
07/15/08: * in calculator: fix bug reversing the ellipsoidal ratios of oblate and prolate models
07/05/08: * update xp export file to sedphat
07/03/08: * make debugging system dumping info to files   
06/20/08: * make new input box for inhomogeneous solvent model
06/20/08: * make dynamic density gradients take advantage of multi-threaded CLamm class
06/11/08: * include scanning time corrections to ls-g*(s) [is incompatible with compressibility option]
06/11/08: * include scanning time corrections to van Holde-Weischet

renamed version 11.5 (beta)
05/20/08: * fix crash when using van Holde-Weischet model.
05/20/08: * fix bug causing error message when switching models in DLS analysis
05/20/08: * eliminate possibility to transform distributions twice, and to integrate transformed distributions

renamed version 11.4
05/02/08: * dynamic limit dragging
04/29/08: * take advantage of multithreading for Lamm equation solutions in distributions.
04/23/08: * improve automatic determination of peak width
04/11/08: * fix bug in positioning of the peak Mw info boxes appearing on control-M
04/11/08: * fix bug that would overwrite new vbar value when using the vbar menu function while using continuous distribution models
04/11/08: * enable ls-g*(s) in new Lamm equation class
04/03/08: * make menu point to transform s(xp) to s(20,w)
04/01/08: * fix bug when reloading fit parameters including 'times from wwt' option
04/01/08: * fix bug when generating data with short time interval making a scan time fall into the rotor acceleration phase
04/01/08: * new structure of Lamm equation solutions

renamed version 11.3c
03/27/08: * fix bug resulting in wrong concentrations when generating data with the discrete species model
03/27/08: * increase precision in the amplitude field of the prior parameter box
03/27/08: * allow fitting of synthetic boundary experiments
03/27/08: * fix bug in Lamm equation parameter box not allowing experimental initial conditions to be switched on

renamed version 11.3b
02/19/08: * fix bug in generating synthetic data with c(s) model

renamed version 11.3
02/06/08: * make rotor acceleration the default for SV analysis
02/06/08: * change default crossover for sedimentation algorithms
02/06/08: * improved error catching for Lamm simulations

renamed version 11.2
01/23/08: * fix bug causing crash when using s-grid from file option
01/08/08: * fix bug under certain conditions causing discretization error in Lamm algorithm 
01/08/08: * fix bug in switching Lamm simulation methods in distributions at high s-values
01/08/08: * introduce radial reconvolution

renamed version 11.0
12/13/07: * fix bug sometimes causing crash after automatic integration
12/13/07: * add calculator functions for particle sizes
10/04/07: * request frictional ratio value for transforming s to Rh distribution
09/10/07: * extend multi-thread support to user-defined number of threads
09/10/07: * ability to suppress baseline correlation with lowest s-value in c(s) with MaxEnt
08/01/07: * improve stability of Lamm equation solver for extreme, unphysical parameter combinations that may be encountered during simulated annealing fitting
07/26/07: * for bimodal c(s) model, fix bug in reported molar mass from integrating c(s)
06/22/07: * fix bug not reverting back completely to original raw data after Monte Carlo simulation
06/22/07: * for Monte Carlo for distributions, use the fit without regularization as 'mother' data for generating synthetic sets
06/20/07: * new function to change cell, loading the equivalent data
06/15/07: * fix bug in Monte-Carlo analysis for distribution that can cause crash
06/15/07: * enable for Monte-Carlo for c(s) distributions to include regularization (following the model setting)
05/31/07: * implement Marquardt-Levenberg fitting
05/23/07: * implement simulated annleaing fitting
05/14/07: * extend serial analysis to include Monte Carlo error analysis
05/12/07: * add tick labels on rhs of data plot
04/29/07: * dual-thread support for distribution models
04/29/07: * fix memory allocation problem causing intermittent instability
04/03/07: * realtime updated test for approach of equilibrium
02/12/07: * use series of integration ranges from pre-determined file
02/02/07: * add test for equilibrium to the sorting routine for equilibrium data
01/20/07: * graphical removal of single data point from selected scan
01/19/07: * fix automatic integration of partial peaks at distribution boundaries
01/19/07: * refined recognition of peak range
01/19/07: * option to export c(s) to sedphat converting peaks to discrete species
01/19/07: * make option to show results from both regularization methods
01/09/07: * prior expectation for sedimentation equilibrium c(M)
12/28/06: * prior expectation for c(s,f) and c(s,*)
12/13/06: * install upper limit of 1000 that can be loaded
12/13/06: * suppress screen redraw when reloading files
11/29/06: * non-equidistant dynamic grid for Claverie finite element Lamm equation solution

renamed 9.5
11/14/06: * fix bug with too truncation of too long comment lines
11/03/06: * utility function to subtract constant value (e.g. a known fixed baseline) from a scan
10/26/06: * use user-defined maximum entropy prior probability as option in c(s) regularization
10/25/06: * place all Lamm equation controls in separate parameter box
10/24/06: * option for adaptive finite element grid size
10/21/06: * dynamic help and wizzard messages, with on/off switch 
10/17/06: * function to multply signals
10/09/06: * new user graphical interface
09/25/06: * new color management
09/25/06: * for c(s,f) when changing regularization only, don't recalculate Lamm eq. and normal equations
09/23/06: * change color scheme and make color bar for c(s,f)
09/23/06: * include min/max setting for meniscus and bottom in the parameters to be restored from previous fit
09/13/06: * fix bug in Eq sorting routine

renamed 9.4
08/21/06: * improve time-stepper in moving hat Lamm equation simulation
08/20/06: * do not export temperature to SEDPHAT
08/14/06: * function to automatically display peak Mw in c(s)
08/09/06: * update xp-file in export function to SEDPHAT
08/08/06: * change icons
07/22/06: * speed up and fix memory leak in dynamic density gradient model 
07/22/06: * enable installation of SEDFIT to any directory (with corresponding migration of auxillary files)
07/17/06: * fix bug in c(s) model with M(s) table
06/21/06: * function to restore previously subtracted TI noise 
06/21/06: * for limits of minimum and maximum meniscus and bottom: change default behavior
				to adjust automatically to relocation of meniscus and bottom
06/21/06: * make grey dotted lines for limits of meniscus and bottom during fitting. 
06/21/06: * calculator function for M(s)
06/20/06: * control - right double-click in c(s) will give Mw output
06/20/06: * c(s) for wormlike chains
06/20/06: * c(s) with known f/f0 and floating vbar
06/20/06: * suppress warning messages about regularization during serialized fit
06/13/06: * enable sorting of mixed sectors from previously cut six-channel cells,
		      carry through ID character (i,o,m) of previously cut six-channel cells.  
06/13/06: * asks whether to set meniscus or bottom when they are outside of data range
06/13/06: * fix bug in flotation when using ls-g*(s)
06/09/06: * make function for DLS data Protein Solutions 4 format

renamed 9.3b (workshop April 06)
03/10/06: * when integrating, put results automatically into clipboard.
03/10/06: * update xp-file in export function to SEDPHAT

renamed 9.3 (workshop February/March 06)

02/25/06: * add new import function for DLS data from Malvern Zetasizer
02/23/06: * permit flotation of extra discrete species in c(s) and c(s,ff0)
02/23/06: * new c(s,ff0) with extra single discrete species
02/15/06: * implement warning smin and smax for ls-g*(s) are out of range. 
01/25/06: * fix overflow error when checking for backdiffusion

renamed 9.2f
12/27/05: * add c(s,ff0) or c(s,M) two-dimensional distribution
12/27/05: * make unique sedphat file for each cell in serialized fit
12/10/05: * add fritional ratio to output of serialized fit
12/02/05: * enable wav-files for messages
12/01/05: * make serialization of fit.

renamed 9.2b
11/14/05: * fix bug reading XLA data commentline causing instability when exporting to SEDPHAT 

renamed 9.2 (workshop September 05)

09/09/05: * enable restoring previously fitted data for some simple c(s) models
09/09/05: * fix bug when exporting sedimentation data that have been generated synthetically  
09/06/05: * enable drag-and-drop for sets of ip* and ra* scans
09/03/05: * allow updating of display during fit, according to preference
09/03/05: * exclude worst scan
09/03/05: * preset radial resolution for velocity data
09/03/05: * ask for optional blank IF scan to be subtracted when sorting ip-files.

renamed 9.1

08/25/05: * fix bug in comments of generated xp-files, update format to conform with SEDPHAT 4.01 
08/25/05: * fix bug when generating sedimentation data from synthetic distributions      
08/19/05: * fix bug in filenames when saving raw data with speed and wl info
07/19/05: * fix bug for simulated scans during rotor acceleration       
07/01/05: * enable receiving of drag/drop input of sedphat xp-files from velocity experimens.
06/23/05: * fix error in run parameters when subtracting TI baseline from equilibrium data

renamed 9.0
06/15/05: * c(s) model with arbitrary tabulated relationship between s and M
04/23/05: * fix bug when saving DLS data from Dynamics V6
03/08/05: * speed up Lamm eq. solution
03/18/05: * function to exclude radial region from raw data
03/18/05: * calculator function to transform s(xp) to s(20,w)
03/19/05: * DLS fomats for Protein Solutions Version 6.2.05 and PhotoCor


release 8.9g (workshop in March 05)

02/07/05: * remove reference to 'windows' director, substitute with 'sedfit' directory for 'ini' files to reside in
			 * update export function to accomodate extended SEDPHAT format

release 8.9f

10/17/04: * fix bug in the function "Save Raw Data Set in 3 Subsets" which caused the outer segment not be be saved
10/17/04: * add keyboard shortcuts:  ctrl-Q for "sort eq data" and ctrl-o for "display last fit info"
09/21/04: * function to sort equilibrium data
08/12/04: * make calculator for frictional force
06/16/04: * switch residuals bitmap on by default

release 8.9b

06/06/04: * export function to make SEDPHAT configuration files from current c(s) model
06/06/04: * export function to make SEDPHAT xp files from current data
06/06/04: * fix bug when transfering input focus to the sedfit window by right mouse double click, which caused sedfit to crash

11/12/03: * implement models for mismatched small Mw sedimentation superimposed to macromolecular sedimentation
   
announced with release of version 8.8

11/14/03: * fix bug in algebraic assignment of uniform baseline (no TI and RI) in the non-interacting model with components out of sequence and when optimizing all concentrations
11/12/03: * fix bug in the non-interacting model in (D,s) when treating the first component as non-ideal
11/05/03: * enable loading of wavelength scans and converting them from intensity to absorbance
11/05/03: * make real-time mode more flexible, allow for possibility to keep s-range fix

09/13/03: * disable obsolete local help system
09/06/03: * fix bug overwriting soem parameters when switchting to inhomogeneous solvent while in continuous distribution model
09/02/03: * fix bug when manually or graphically entering meniscus
08/26/03: * fix factor (n-1)/n in calculated critical variance using F-statistics
06/12/03: * function to add noise to fitted data (can sometimes simplify generating data)
06/06/03: * add function to add constant number to elapsed time, to correct files after XLI power failure resulting in erroneous entries in file headers
06/02/03: * rename current sedfit to version 8.70
06/02/03 * simplify data loading menu
05/14/03 * switch off resetting of grid size when reloading IF data
05/14/03 * make function to correct erroneous IF radial calibration

changes for version 8.6
04/28/03 * make c(s) with bimodal f/f0
04/01/03 * include hydrodynamic non-ideality in monomer-dimer self-association model
03/07/03 * include calculator for ellipsoid shapes as a function directly from best-fit f/f0
03/07/03 * improve accuracy in calculated ellipsoid shapes by using John Philo's coefficients from sednterp
02/28/03 * include in Monte-Carlo analysis the statistics on the concentration integrated from c(s)
02/23/03 * include solvent compressibility in the dynamic density gradient model
02/23/03 * for dynamic density gradient: fix bug to permit difference between macromolecular and apparent partial specific volume
02/12/03 * include standard deviation of s-values in the integration
01/23/03 * extend file filters to include cell 8
01/23/03 * include option to save data in with modified filename including speed and wavelength information
01/22/03 * stabilize van Holde-Weischet model against outlier calculated boundary positions
12/30/02 * allow fitting for partial-specific volume of macromolecule in the inhomogeneous solvent mode
12/27/02 * automatically switch off regularization during nonlinear regression of continuous distribution
12/27/02 * fix bug in transformation of initial experimental to s20w values in inhomogeneous media
12/18/02 * when using sdist - files in c(s) analysis with predefined s-grid, prevent crash if there's no file found
11/28/02 * extend Monte-Carlo error analysis to weight-average s-values from integration of c(s) or ls-g*(s)
11/28/02 * include back-transform of g(s*) distributions into direct boundary model
11/26/02 * differential version of second moment sw method (independent of history)
11/26/02 * fix problem with Tikhonov regularization for DLS:  ignore effect of regularization on degree of freedom, estimate as # of data points
07/22/02 * viscosity and density gradients from sedimenting co-solute
07/17/02 * compressible solvents
07/14/02 * sedimentation through inhomogeneous solvent

changes for version 8.52
11/23/02 * read new DLS data formats: old DOS BIC, and Protein Solutions version 5.26.38
11/08/02 * fix bug in regularization of distributions with 1 extra discrete component (exclude the extra component from regularization, which leads now to stronger regularization of the remaining distribution)
09/20/02 * fix bug of case-sensitive file extension when saving of pseudo-absorbance data
08/23/02 * consequently neglect change in degrees of freedom of model due to regularization in the calculation of F-statistics for distributions
08/04/02 * insert an additional stop condition in Simplex when parameters have converged
08/04/02 * fix bug that didn't display updated band thickness during optimization for AZC
08/04/02 * fix bug that hung up the error calculation
08/04/02 * add non-ideality in first component to multiple species fit with s and D
08/02/02 * user-specific threshold for removing integral fringe jumps within a single scan, and new algorithm
08/02/02 * include predefined polynomial expression of s(c) and D(c) in non-ideal sedimentation model
08/01/02 * automatic check for temperature stability
07/14/02 * include filename range in fitting information
07/14/02 * stabilize Claverie simulations for analytical zone centrifugation model
07/14/02 * keyboard shortcut control-I reassigned to integrate distribution
07/10/02 * realtime update of files
07/05/02 * new model ls-g*(s) with one discrete species Lamm equation solution
07/05/02 * allow reading the grid of sedimentation coefficients from a file
07/05/02 * save the grid of sedimentation coefficients in a file (when using sedimentation coefficient distributions)
07/05/02 * include log spacing of sedimentation coefficient grid
07/05/02 * fix bug when loading interference data after absorbance data, which caused problems in the noise subtraction
07/05/02 * fix bug in normalization and integration at the boundaries of the distributions
07/04/02 * remove instability in c(s) with constant D model by preventing entering D = 0
07/04/02 * fix transient display bug in the distribution scale when switching from ls-g*(s) to c(s)
07/04/02 * include temperature plot (temperature versus time) to assess temperature instabilities
07/04/02 * extend right mouse buttom zoom to distribution plot
07/03/02 * include hydration into the calculated axial ratios in the calculator

announced with 8.4 May 2002:
05/04/02 * include new DLS model for fitting discrete set of Stokes Radii to autocorrelation function
05/01/02 * include warning message when setting s-min = 0 or M-min = 0 in distribution model
05/01/02 * function for inverting data (muliply with -1, e.g., when sample and reference are swapped)
04/22/02 * change file loading to allow empty spaces in directories
04/12/02 * fix bug in stopping simulations for analytical zone centrifugation
04/12/02 * improve Tikhonov regularization in Monte-Carlo prodecure
03/07/02 * remove allocation of the printer
01/31/02 * improve AdiabRoot routine for MaxEnt (helps not to get stuck in Maximum Entropy regularization)

01/02/02 * include second moment method for weight-average sedimentation coefficients
01/02/02 * include radial dilution and pressure calculator
12/31/01 * fix bug in linear system solver in backup when attempting cholesky procedure to non-positive definite matrices

sedfit version 8.3:

12/26/01 * utility to add or subtract simulated sedimentation data to raw data (e.g. for adding new simulated species to existing data)
12/26/01 * integration tool for sedimentation distributions
12/26/01 * tool for rescaling and integrating distributions
12/26/01 * make simulation of self-association easier
12/18/01 * fix bug when subtracting blank scans
12/17/01 * add file filter for specific cells
12/14/01 * remove overwriting gridsize to default value when loading new data
12/10/01 * break off simulations when c(r)/c(0) < 1e-4 at right fit limit
12/10/01	* automatically reset time stepsize control parameters after each simulation

12/7/01  * allow loading of DLS data as 2 column ASCII files
12/7/01  * save average DLS data as average intensity, not average field! (square before averaging...)

announced already with sedfit 82:
* allow saving of DLS fit data (with/without addition of noise)
* changed a bit Levenberg Marquardt optimization in maximum entropy
* fix bug in using only RI noise for self-association models
* fix bug when saving mean DLS data
* load DLS data from ALV
* fix bug that copied into the clipboard an erroneous additional residual point at the end of absorbance scans

changes after 82:
* allow c(s) with discrete component to work with floating component


planned:

* analysis of c(s) for linear rods
* analysis of timecourse c(rh,t) from DLS data