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When adding all the restraint scores reported in the stat file (i.e. excluded volume, connectivity, xls) they do not add to the total score reported in the stat file.
For example:
This can be misleading when evaluating the contribution of individual scores since the PriorPsi_Score term can be fairly large (in absolute value) when Psi is close to zero (very low number of false positives).
Is there a reason not to report the log likelihood and prior/priors as individual terms, but making the score the -log(likelihood*prior) in the stat file? In such way, it would be consistent with the score used for Monte Carlo steps.
The text was updated successfully, but these errors were encountered:
This follows the structure of the posterior score, where likelihoods and
priors are separated terms.
In the example that you give:
posterior_score = XL_likelihood_score + Excluded_Volume_Prior +
Connectivity_Prior + XL_prior
In such way, it would be consistent with the score used for Monte Carlo
steps.
I don't get this point. Can you explain?
Riccardo Pellarin, PhD
===================
Institut Pasteur
CNRS UMR 3528
25, rue du Docteur Roux
75724 Paris Cedex 15, France
[email protected]
+33 (0)1 44 38 93 63
On Fri, Feb 9, 2018 at 2:37 AM, Ignacia Echeverria ***@***.*** > wrote:
When adding all the restraint scores reported in the stat file (i.e.
excluded volume, connectivity, xls) they do not add to the total score
reported in the stat file.
For example:
Total_Score != ExcludedVolumeSphere_Score + CrossLinkingMassSpectrometryRestraint_Data_Score+
Sum(Connectity_Score)
To recover the total score is also necessary to add the
CrossLinkingMassSpectrometryRestraint_PriorPsi_Score term.
Total_Score = ExcludedVolumeSphere_Score + CrossLinkingMassSpectrometryRestraint_Data_Score+
Sum(Connectity_Score) + CrossLinkingMassSpectrometryRestraint_PriorPsi_Score
term.
This can be misleading when evaluating the contribution of individual
scores since the PriorPsi_Score term can be fairly large (in absolute
value) when Psi is close to zero (very low number of false positives).
Is there a reason not to report the log likelihood and prior/priors as
individual terms, but making the score the -log(likelihood*prior) in the
stat file? In such way, it would be consistent with the score used for
Monte Carlo steps.
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.
When adding all the restraint scores reported in the stat file (i.e. excluded volume, connectivity, xls) they do not add to the total score reported in the stat file.
For example:
Total_Score != ExcludedVolumeSphere_Score + CrossLinkingMassSpectrometryRestraint_Data_Score+ Sum(Connectity_Score)
To recover the total score is also necessary to add the CrossLinkingMassSpectrometryRestraint_PriorPsi_Score term.
Total_Score = ExcludedVolumeSphere_Score + CrossLinkingMassSpectrometryRestraint_Data_Score+ Sum(Connectity_Score) + CrossLinkingMassSpectrometryRestraint_PriorPsi_Score term.
This can be misleading when evaluating the contribution of individual scores since the PriorPsi_Score term can be fairly large (in absolute value) when Psi is close to zero (very low number of false positives).
Is there a reason not to report the log likelihood and prior/priors as individual terms, but making the score the -log(likelihood*prior) in the stat file? In such way, it would be consistent with the score used for Monte Carlo steps.
The text was updated successfully, but these errors were encountered: