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.
>
>
>
>
>
|