R is a well-documented statistics package.
http://www.r-project.org/
BR
-----Original Message-----
From: CCP4 bulletin board [mailto:[log in to unmask]] On Behalf Of
Keitaro Yamashita
Sent: Sunday, February 06, 2011 2:10 AM
To: [log in to unmask]
Subject: Re: [ccp4bb] adding gaussian noise to an mtz data column
Dear James,
I'm very interested in your crystallographic R package.
Is it available to the public?
Thanks in advance,
Keitaro
2011/2/4 James Foadi <[log in to unmask]>:
> If you fancy using R (and its endless ways of generating random
> deviates), then you could use part of the crystallographic package we
> are developing here (cRy).
>
> Then you would carry out the following in R:
>
>> source("cRy/all_load.R")
>> mtz <-
>>readMTZ("test.mtz")
>> # Load data from mtz file
>> newF <-
>>mtz$reflections$Fnew+rnorm(mean=0,sd=1,n=length(mtz$reflections$H)) #
>>Add gaussian deviates with mean 0 and standard dev 1
>>mtz$reflections$Fnew <- newF # Replace new column
>>writeMTZ(mtz,"new_test.mtz")
>> # Write modified file with a different name
>
>
> If you are interested I can provide you with my R code for doing this.
>
>
>
> J
>
> Dr James Foadi PhD
> Membrane Protein Laboratory
> Diamond Light Source Ltd.
> Diamond House
> Harwell Science and Innovation Campus
> Didcot
> Oxfordshire
> OX11 0DE
> United Kingdom
>
>
> office email: [log in to unmask] alternative email:
> [log in to unmask]
>
>
>
> ----- Original Message ----
> From: Vellieux Frederic <[log in to unmask]>
> To: [log in to unmask]
> Sent: Fri, 4 February, 2011 12:40:35
> Subject: [ccp4bb] adding gaussian noise to an mtz data column
>
> Before re-inventing the wheel...
>
> Is there anywhere some software (freely available software, I mean)
> that can add some Gaussian noise to data. The data is currently stored
> in a data column in an mtz (not phase data, but "amplitudes", "sigma
> values"...) but can be exported to another format if required.
>
> Before writing a computer program to do this, does anyone know if this
> can be done without writing any code. If it can then obviously I won't
write new code.
>
> Thanks,
>
> Fred.
>
>
>
>
>
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