Dear all,
Just to reiterate that wwPDB can accept multiple data blocks of data
before and after process, and the first block should be the one that
used for the refinement of the deposited coordinates.
Kind regards,
Deborah
On 18/04/2024 13:37, Randy John Read wrote:
I haven’t deposited
Hi Clemens
I’m “quite”* surprised. Do the authors of these programs offer any explanation
as to why the scaling programs (given that these are the ones that usually
provide F/I information for subsequent programs) bother to calculate sigmas if
they’re going to be ignored?
Harry
* for “quite”
Dear Randy, Harry et al,
sorry for replying to several emails in one message - but as always,
everything is connected ;-)
On Thu, Apr 18, 2024 at 10:02:40AM +, Randy John Read wrote:
> I’d like to add my strong agreement to what Robbie said, but also point
> out a wrinkle. When the PDB runs
ur favorite
>>> refinement program.
>>> My personal convention is to use CC1/2 = 0.30 as the point to which retain
>>> data and = 2 as the nominal resolution of the dataset. If you have
>>> the HKL2000 scaling log, you should be able to retrieve this informa
, April 17, 2024 4:12 PM
To: Hekstra, Doeke Romke
Cc: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Rescale merged data?
Sure thing.
A former student left somewhere between 30-50 datasets but they scaled the data to the detector corners (or maybe edge) in HKL2000. There are many of the high-
sed on some criterion or another.
> >
> > Best, Doeke
> >
> > From: Matt Mcleod
> > Sent: Wednesday, April 17, 2024 4:12 PM
> > To: Hekstra, Doeke Romke
> > Cc: CCP4BB@JISCMAIL.AC.UK
> > Subject: Re: [ccp4bb] Rescale merged data?
> >
> >
> on some criterion or another.
>
> Best, Doeke
>
> From: Matt Mcleod
> Sent: Wednesday, April 17, 2024 4:12 PM
> To: Hekstra, Doeke Romke
> Cc: CCP4BB@JISCMAIL.AC.UK
> Subject: Re: [ccp4bb] Rescale merged data?
>
> Sure thing.
>
> A former
> Sent: Wednesday, April 17, 2024 4:12 PM
> To: Hekstra, Doeke Romke
> Cc: CCP4BB@JISCMAIL.AC.UK
> Subject: Re: [ccp4bb] Rescale merged data?
>
> Sure thing.
>
> A former student left somewhere between 30-50 datasets but they scaled the
> data to the detector corne
00?
Best, Doeke
-Original Message-
From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> On Behalf Of Matt McLeod
Sent: Wednesday, April 17, 2024 3:04 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Rescale merged data?
Hi all,
I am looking at a old students data and it looks like they d
Doeke
>
>
>
> *From:* Matt Mcleod
> *Sent:* Wednesday, April 17, 2024 4:12 PM
> *To:* Hekstra, Doeke Romke
> *Cc:* CCP4BB@JISCMAIL.AC.UK
> *Subject:* Re: [ccp4bb] Rescale merged data?
>
>
>
> Sure thing.
>
>
>
> A former student left somewhere betwe
, Doeke Romke
Cc: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Rescale merged data?
Sure thing.
A former student left somewhere between 30-50 datasets but they scaled the data
to the detector corners (or maybe edge) in HKL2000. There are many of the
high-resolution bins with no reflections
> -Original Message-
> From: CCP4 bulletin board On Behalf Of Matt McLeod
> Sent: Wednesday, April 17, 2024 3:04 PM
> To: CCP4BB@JISCMAIL.AC.UK
> Subject: [ccp4bb] Rescale merged data?
>
> Hi all,
>
> I am looking at a old students data and it looks like they didn'
, 2024 3:04 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Rescale merged data?
Hi all,
I am looking at a old students data and it looks like they didn't properly cut
off the data during scaling. All of the files I have appear to be the merged
.sca (or mtz after converting with scalepacktomtz
cutoffs, or outlier
rejection? Are you referring to data that were scaled in HKL2000?
Best, Doeke
-Original Message-
From: CCP4 bulletin board On Behalf Of Matt McLeod
Sent: Wednesday, April 17, 2024 3:04 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Rescale merged data?
Hi all,
I am
Hi all,
I am looking at a old students data and it looks like they didn't properly cut
off the data during scaling. All of the files I have appear to be the merged
.sca (or mtz after converting with scalepacktomtz) - is there a way to
retruncate the data after merging or do I have to
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