mailRe: r27230 - /trunk/user_functions/monte_carlo.py


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Posted by Edward d'Auvergne on January 20, 2015 - 15:00:
Hi Troels,

You should try to update your copyright notices for 2015 as you edit
files (or check the logs and then update them).  I've noticed that
you're not even listed in this file.  It is quite important for
copyright protection/legal reasons to do this.

Cheers,

Edward


On 20 January 2015 at 12:41,  <tlinnet@xxxxxxxxxxxxx> wrote:
Author: tlinnet
Date: Tue Jan 20 12:41:23 2015
New Revision: 27230

URL: http://svn.gna.org/viewcvs/relax?rev=27230&view=rev
Log:
Expanded the STD acronym, to the meaning of Standard deviation.

This is in the user function 'monte_carlo.create_data'.

Task #7882 (https://gna.org/task/?7882): Implement Monte-Carlo simulation, 
where errors are generated with width of standard deviation or residuals.): 
Implement Monte-Carlo simulation, where errors are generated with width of 
standard deviation or residuals.

Modified:
    trunk/user_functions/monte_carlo.py

Modified: trunk/user_functions/monte_carlo.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/user_functions/monte_carlo.py?rev=27230&r1=27229&r2=27230&view=diff
==============================================================================
--- trunk/user_functions/monte_carlo.py (original)
+++ trunk/user_functions/monte_carlo.py Tue Jan 20 12:41:23 2015
@@ -104,7 +104,7 @@
 uf.desc[-1].add_paragraph("The method can either be set to back 
calculation (Monte Carlo) or direct (bootstrapping), the choice of which 
determines the simulation type.  If the values or parameters are calculated 
rather than minimised, this option will have no effect.  Errors should only 
be propagated via Monte Carlo simulations if errors have been measured. ")
 uf.desc[-1].add_paragraph("For error analysis, the method should be set to 
back calculation which will result in proper Monte Carlo simulations.  The 
data used for each simulation is back calculated from the minimised model 
parameters and is randomised using Gaussian noise where the standard 
deviation is from the original error set.  When the method is set to back 
calculation, this function should only be called after the model is fully 
minimised.")
 uf.desc[-1].add_paragraph("The simulation type can be changed by setting 
the method to direct.  This will result in bootstrapping simulations which 
cannot be used in error analysis (and which are no longer Monte Carlo 
simulations).  However, these simulations are required for certain model 
selection techniques (see the documentation for the model selection user 
function for details), and can be used for other purposes.  Rather than the 
data being back calculated from the fitted model parameters, the data is 
generated by taking the original data and randomising using Gaussian noise 
with the standard deviations set to the original error set.")
-uf.desc[-1].add_paragraph("The errors generated per simulation can either 
be generated indidual per datapoint and drawn from a gauss distrubtion 
described by the STD of the indidual point, or it can be generated from a 
overall gauss distribution described by the STD_fit of the goodness of fit, 
where STD_fit = sqrt(chi2/(N-p)).  The last possibility is to supply a 
fixed value of STD, from which gauss distribution to draw errors from.")
+uf.desc[-1].add_paragraph("The errors generated per simulation can either 
be generated indidual per datapoint and drawn from a gauss distrubtion 
described by the standard deviation of the indidual point, or it can be 
generated from a overall gauss distribution described by the standard 
deviation of the goodness of fit, where SD_fit = sqrt(chi2/(N-p)).  The 
last possibility is to supply a fixed value of the standard deviation, from 
which gauss distribution to draw errors from.")
 uf.desc.append(monte_carlo_desc)
 uf.backend = error_analysis.monte_carlo_create_data
 uf.menu_text = "&create_data"


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