Re: [ccp4bb] question related to MTZ file

2015-01-03 Thread Ed Pozharski
I suspect the question might be about converting intensities to anplitudes.  If 
so ctruncate is your friend.


Happy Connecting. Sent from my Sprint Samsung Galaxy S® 5


 Original message 
From: Eleanor Dodson  
Date:01/03/2015  3:42 PM  (GMT-05:00) 
To: CCP4BB@JISCMAIL.AC.UK 
Subject: Re: [ccp4bb] question related to MTZ file 

I don't really understand your question. 
An "mtz file" is simply a format to hold at least a  list of 
h k l Observations Sigma_observations 

It is a binary file format which makes it very suitable to store information 
with a large range of value - viz, observations.. 


Then other information pertinent to reflection indices can be added to the file

e.g. IF you have a model you could calculate Fcalc and PHIcalc. and append then

IF you had some experimental information to help you determine phases such as 
anomalous measurements you may want to store these, plus the derived phases and 
Figs_of_Merit.

Is this any help?  Phases have to be based on extra information..

Eleanor



On 3 January 2015 at 04:00, luzuok  wrote:
How "initial" this MTZ file? 
Does this mtz file contain phase information? 

Lu Zuokun




--
卢作焜
南开大学新生物站A202

在 2015-01-02 00:52:53,"Jurgen Bosch"  写道:

I assume you mean with initial mtz file the one derived from Mosflm after 
processing your images. If so, then how about running that file through scala 
http://www.ccp4.ac.uk/html/scala.html  ?
I bet there are some tutorials on the CCP4 webpage on that topic.

Jürgen

..
Jürgen Bosch
Johns Hopkins University
Bloomberg School of Public Health
Department of Biochemistry & Molecular Biology
Johns Hopkins Malaria Research Institute
615 North Wolfe Street, W8708
Baltimore, MD 21205
Office: +1-410-614-4742
Lab:  +1-410-614-4894
Fax:  +1-410-955-2926
http://lupo.jhsph.edu

On Dec 31, 2014, at 9:19 PM, Dialing Pretty 
<03f1d08ed29c-dmarc-requ...@jiscmail.ac.uk> wrote:

Dear All,

After I got the initial MTZ file without the structure factors, will you please 
tell me by which CCP4 program I can get the MTZ file with the structure factors?

I am looking forward to getting your reply.

Dialing






Re: [ccp4bb] question related to MTZ file

2015-01-03 Thread Eleanor Dodson
I don't really understand your question.
An "mtz file" is simply a format to hold at least a  list of
h k l Observations Sigma_observations

It is a binary file format which makes it very suitable to store
information with a large range of value - viz, observations..


Then other information pertinent to reflection indices can be added to the
file

e.g. IF you have a model you could calculate Fcalc and PHIcalc. and append
then

IF you had some experimental information to help you determine phases such
as anomalous measurements you may want to store these, plus the derived
phases and Figs_of_Merit.

Is this any help?  Phases have to be based on extra information..

Eleanor



On 3 January 2015 at 04:00, luzuok  wrote:

> How "initial" this MTZ file?
> Does this mtz file contain phase information?
>
> Lu Zuokun
>
>
>
>
> --
> 卢作焜
> 南开大学新生物站A202
>
> 在 2015-01-02 00:52:53,"Jurgen Bosch"  写道:
>
>  I assume you mean with initial mtz file the one derived from Mosflm after
> processing your images. If so, then how about running that file through
> scala http://www.ccp4.ac.uk/html/scala.html  ?
> I bet there are some tutorials on the CCP4 webpage on that topic.
>
>  Jürgen
>
>  ..
> Jürgen Bosch
> Johns Hopkins University
> Bloomberg School of Public Health
> Department of Biochemistry & Molecular Biology
> Johns Hopkins Malaria Research Institute
> 615 North Wolfe Street, W8708
> Baltimore, MD 21205
> Office: +1-410-614-4742
> Lab:  +1-410-614-4894
> Fax:  +1-410-955-2926
> http://lupo.jhsph.edu
>
>  On Dec 31, 2014, at 9:19 PM, Dialing Pretty <
> 03f1d08ed29c-dmarc-requ...@jiscmail.ac.uk> wrote:
>
>   Dear All,
>
>  After I got the initial MTZ file without the structure factors, will you
> please tell me by which CCP4 program I can get the MTZ file with the
> structure factors?
>
>  I am looking forward to getting your reply.
>
>  Dialing
>
>
>
>
>