Dear Bernhard,
Thank you, but I didn't mean it.
I'd like to use the package cRy made by James since I'm an R user!
Thanks,
Keitaro
2011/2/7 Bernhard Rupp (Hofkristallrat a.D.) <[log in to unmask]>:
> 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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