output sigmaa and D values?

From: Pete Meyer
Date: 24 February 2012 17:28
Does anyone know of a program that will output sigma_a and D values for individual reflections (yes, I know they're usually calculated as bin values)?  Or, for that matter, an option to an existing program I haven't found in the documentation yet?

Thanks,

Pete

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From: Pavel Afonine
Hi Pete,

yes, I wrote one a while ago:

phenix.reciprocal_space_arrays

https://www.phenix-online.org/documentation/reciprocal_space_arrays.htm

it does exactly what you asked for and much much more.

Let me know if you have questions.

Pavel

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From: Pete Meyer
Hi Pavel,

Thanks - I'd missed that one when I was checking the phenix documentation.

Also, I may be slower than usual today, but I don't see an output column for sigma_a.  Is there a relationship between alpha and beta and sigma_a?

Pete

Pavel Afonine wrote:

Hi Pete,

yes, I wrote one a while ago:

phenix.reciprocal_space_arrays

https://www.phenix-online.org/documentation/reciprocal_space_arrays.htm

it does exactly what you asked for and much much more.

Let me know if you have questions.

Pavel