On Fri, 11 Jun 2004, Brian Smith wrote:
> Erm, now I guess I get on picking crsspeaks in my T1 expts and propagating
> the assignments from the HSQC. Anyone feel like letting me into the ideas
> behind the Data analysis functions - I bet the relaxation rate handling
> stuff is in there already. The HetNOE box looks nice.
Relaxation analysis is the next big job but it is all sketchy at the mo.
( I'm currently sorting distance constraints and AZARA connect-like
ambiguous constraint generation.)
The plans for the Data analysis section are initially:
Series measurements
- To follow things like intensities & chem shift changes during
titrations, pH series etc.
HeteroNOE
- First version done. Critique welcome.
Relaxation analyses
- Function fitting, graphing, the works
Then later:
RDC measurement
- We'll need to implement some dedicated function fitting
to get accurate values
H/D exchange & protection
If there's anything that you'd like to see in a given section or any other
analyses you think we should include, just say...
> 3. analysis: Data analysis->Measurement Lists or Measurements produces
> stack trace:
> AttributeError: 'module' object has no attribute 'DipolarRelax'
Already fixed ready for next update.
Tim
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Dr Tim Stevens Email: [log in to unmask]
Department of Biochemistry [log in to unmask]
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