Menu

SVN archive Commit Log


Commit Date  
[r2298] by bugman

Added a chapter to the manual about data analysis. This is a chapter intended to explain
step-by-step how to implement the data analysis chain in calculating the NOE, fitting the R1 and R2
relaxation curves, implementing reduced spectral density mapping, and doing model-free analysis.

Also added an introduction paragraph to the maths chapter to warn ordinary users to not read it.

2006-01-06 06:03:18 Tree
[r2297] by bugman

A large number of changes in preparation for optimisation of the exponential relaxation curves.

The user function 'relax_fit.curve_type' has been renamed to 'relax_fit.select_model' to bring it
into line with the model-free functions.

Bug fix: The model-free prompt function now prints the 'res_num' argument.

The following functions have been added to the file 'specific_fns/relax_fit.py' in preparation:

self.assemble_param_vector()
self.data_names()
self.grid_search_setup()
self.linear_constraints()
self.minimise()
self.model_setup()

A few other fixes have been added to 'specific_fns/relax_fit.py'.

The 'data_init' function of 'specific_fns/model_free.py' has been simplified a little.

The relax_fit minimise function has been added to 'specific_fns/specific_setup.py'.

2006-01-06 03:41:02 Tree
[r2296] by bugman

More additions to the relaxation curve fitting functions.

The specification of the exponential curve type, either the two parameter standard experiment or
three parameter inversion recovery experiment has been shifted out of the function
'relax_fit.read()' into it's own function 'relax_fit.curve_type()'.

A grid search function has been added.

The specific setup has been modified to printout information when the debugging flag is given to the
program and when no specific function can be found.

2006-01-05 07:27:37 Tree
[r2295] by bugman

Added the relaxation data curvefitting function 'assign_function' for placing the data into
'self.relax.data'.

2006-01-05 06:36:33 Tree
[r2294] by bugman

Bug fix:

Chris MacRaild found a bug in the program where back calculation of relaxation data would fail on
unselected resides. I've added the fix he suggested.

2005-12-21 04:23:15 Tree
[r2293] by bugman

Bug fix:

Fixed a problem with the capitalisation of internal model-free parameter names.

2005-12-21 04:14:37 Tree
[r2292] by bugman

Spell check of the Dasha user function docstring.

2005-12-19 05:30:16 Tree
[r2291] by edward

Fixed a problem in the maths section of the manual.

2005-12-15 03:03:09 Tree
[r2290] by edward

Updated the manual.

2005-12-15 03:02:42 Tree
[r2289] by edward

Changed the version number to 1.0.9.

2005-12-15 02:36:41 Tree
Older >
Want the latest updates on software, tech news, and AI?
Get latest updates about software, tech news, and AI from SourceForge directly in your inbox once a month.