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Subject:

Re: [EXTERNAL] Re: [ccp4bb] number of frames to get a full dataset?

From:

Navdeep Sidhu <[log in to unmask]>

Reply-To:

Navdeep Sidhu <[log in to unmask]>

Date:

Fri, 3 Jul 2020 10:51:53 +0200

Content-Type:

text/plain

Parts/Attachments:

Parts/Attachments

text/plain (1 lines)

Dear Ian,



I stand corrected: I should have realized before writing rather than

afterwards that you were surely stressing the formalization (or

formalisation) part.



Cheers,

Navdeep





---

On 02.07.20 22:09, Ian Tickle wrote:

> 

> Hi Navdeep

> 

> Yes good point, the principle of redundancy (though they wouldn't have

> used that term!) has a very long history, but von Neumann did more than

> anyone before him to formalise it:

> 

> http://www.cyclify.com/wiki/images/a/af/Von_Neumann_Probabilistic_Logics_and_the_Synthesis_of_Reliable_Organisms_from_Unreliable_Components.pdf

> 

> Cheers

> 

> -- Ian

> 

> 

> On Thu, 2 Jul 2020 at 11:58, Navdeep Sidhu <[log in to unmask]

> <mailto:[log in to unmask]>> wrote:

> 

>     Dear Ian,

> 

>     You seem to be slightly off there: The successful use of repeating

>     observations to reduce (especially systematic) observational error

>     predates von Neumann by at least 4 centuries.

> 

>     One of the first instances of its use was in the 1500s, due to a migrant

>     scientist working in Denmark and Prague, Czech Republic: Tycho Brahe,

>     whom "the divine goodness [had] given to us" (Kepler).

> 

>     Best regards,

>     Navdeep

> 

> 

>     ---

>     On 01.07.20 17:38, Ian Tickle wrote:

>     >

>     > Yes this seems to be a common misunderstanding, that the meanings of

>     > words such as 'redundancy' have to be the same in an informal

>     > non-scientific context and in a formal technical/scientific context.

>     >

>     > So we can say that in an informal context, 'redundancy' means

>     > "unnecessary duplication (or multiplication) without a purpose",

>     and in

>     > a formal context it has come to mean, ever since John von Neumann

>     > pioneered the idea in the 1950s, "duplication / multiplication

>     with the

>     > express purpose of improving the reliability of the outcome". 

>     > 'Multiplicity / multiplication' is neutral with regard to purpose.

>     >

>     > This divergence of meanings should hardly come as a surprise to

>     anyone,

>     > and also not surprisingly the informal meaning tends to be rather

>     > ill-defined, for example 'theory' used informally means "hypothesis,

>     > hunch, speculation, conjecture etc.", whereas in a scientific

>     context it

>     > has the precise meaning "A coherent

>     > <https://en.wiktionary.org/wiki/coherent> statement

>     > <https://en.wiktionary.org/wiki/statement> or set of ideas

>     that explains

>     > <https://en.wiktionary.org/wiki/explain> observed

>     > <https://en.wiktionary.org/wiki/observe> facts

>     > <https://en.wiktionary.org/wiki/fact> or phenomena

>     > <https://en.wiktionary.org/wiki/phenomenon> and correctly predicts new

>     > facts or phenomena not previously observed, or which sets out the laws

>     > <https://en.wiktionary.org/wiki/law> and principles of something known

>     > or observed; a hypothesis confirmed by observation, experiment etc."

>     > (https://en.wiktionary.org/wiki/theory).

>     >

>     > "The Hypothesis of Evolution" anyone ?

>     >

>     > Cheers

>     >

>     > -- Ian

>     >

>     >

>     >

>     >

>     > On Tue, 30 Jun 2020 at 14:30, Phil Evans <[log in to unmask]

>     <mailto:[log in to unmask]>

>     > <mailto:[log in to unmask] <mailto:[log in to unmask]>>> wrote:

>     >

>     >     I changed the annotation from “Redundancy” to “Multiplicity” in

>     >     Scala, later in Aimless, after I was taken to task by Elspeth

>     Garman

>     >     with the argument as stated, that if it’s redundant why did you

>     >     bother to measure it?

>     >

>     >     (this one could run and run …)

>     >

>     >     Phil

>     >

>     >     > On 30 Jun 2020, at 14:07, Ian Tickle <[log in to unmask]

>     <mailto:[log in to unmask]>

>     >     <mailto:[log in to unmask] <mailto:[log in to unmask]>>> wrote:

>     >     >

>     >     >

>     >     > I agree about RAID but I would go a lot further.  There seems to

>     >     be some confusion here over the correct meaning of 'redundant' as

>     >     used in a scientific context.  I don't think looking it up in an

>     >     English dictionary is very helpful.  So as has been mentioned the

>     >     non-scientific and rather imprecise meanings are "not or no longer

>     >     needed or useful; superfluous" or "exceeding what is necessary or

>     >     natural; superfluous" and "needlessly repetitive; verbose". 

>     In fact

>     >     both redundant and abundant have the same Latin etymology, and

>     >     redundant literally means 're' (again) + 'unda' (wave), i.e.

>     >     'repeating as a wave'.  The original meaning in English is in fact

>     >     'over-abundant' and is still used in poetry with that meaning

>     (e.g.

>     >     "as redundant as the poppies in the field").  There's of

>     course also

>     >     the meaning 'dismissal from a job due to a need to reduce the head

>     >     count' and from there 'out of work', but that's relatively recent

>     >     having been coined by a UK Government official in the 1900s!

>     >     >

>     >     > The correct and totally precise scientific meaning which is

>     >     appropriate in the context of this discussion is to be found here:

>     >     https://en.wikipedia.org/wiki/Redundancy_(engineering) .  Note

>     that

>     >     it applies equally to both hardware and software engineering:

>     >     >

>     >     > Redundancy is the duplication of critical components or

>     functions

>     >     of a system with the intention of increasing reliability of the

>     >     system, usually in the form of a backup or fail-safe, or to

>     improve

>     >     actual system performance.

>     >     >

>     >     > Nothing there about not or no longer needed or useful,

>     >     superfluous, needlessly repetitive, verbose!  Note that

>     >     'multiplicity' totally fails to carry the connotation of

>     increasing

>     >     the system reliability by duplication (i.e. there are multiple

>     >     copies but there's nothing that indicates the justification for

>     >     them).  Redundancy occurs in TMR (triple modular redundancy)

>     systems

>     >     used (as I guess Bernhard knows well) in triplicated control

>     systems

>     >     in commercial aircraft.  I don't know about you but I wouldn't

>     >     regard the extra two backup systems in TMR as 'not needed or

>     useful'

>     >     when I'm an airline passenger !

>     >     >

>     >     > https://en.wikipedia.org/wiki/Triple_modular_redundancy

>     >     >

>     >     > More is always better when it's critical:

>     >     >

>     >     >

>     >   

>      https://www.isa.org/standards-and-publications/isa-publications/intech-magazine/2003/october/more-is-always-better-when-its-critical

>     >     >

>     >     > There's also the question of the same word (redundancy,

>     >     multiplicity or whatever) having different meanings according to

>     >     context.  That's unavoidable given that the number of concepts

>     that

>     >     we might want to name far exceeds the number of words

>     available, so

>     >     we have to rely heavily on context when assigning meaning.  We

>     don't

>     >     say what the context is so the context must be obvious and

>     >     unambiguous.  Whether we're talking about RAID or losing one's job

>     >     it's obvious what the intended meaning is from the context because

>     >     the contexts are totally separate.  The important thing is

>     that the

>     >     contexts should be well-separated so that no confusion is

>     possible. 

>     >     Graeme says he's not confused by the various meanings of

>     >     'multiplicity' but non-crystallographer consumers of Table 1

>     surely

>     >     might be!  The various contexts in which 'multiplicity' is

>     used are

>     >     certainly not well-separated and overlap in program outputs and

>     >     documentation, allowing plenty of scope for confusion.

>     >     >

>     >     > In a scientific context 'redundancy' has a unique precise

>     meaning

>     >     whereas 'multiplicity' has a multiplicity!

>     >     >

>     >     > BTW I use CCP4/Aimless and 'redundancy' (as you no doubt

>     will have

>     >     guessed, because it's the word that unambiguously describes the

>     >     concept), so apparently I'm with you lot across the pond on this!

>     >     >

>     >     > Cheers

>     >     >

>     >     > -- Ian

>     >     > 

>     >     >

>     >     >

>     >     > On Tue, 30 Jun 2020 at 09:01, David Waterman

>     <[log in to unmask] <mailto:[log in to unmask]>

>     >     <mailto:[log in to unmask] <mailto:[log in to unmask]>>>

>     wrote:

>     >     > Reflections are as "redundant" as the disks in a RAID 0 array

>     >     >

>     >     > On Tue, 30 Jun 2020, 02:49 James Holton, <[log in to unmask]

>     <mailto:[log in to unmask]>

>     >     <mailto:[log in to unmask] <mailto:[log in to unmask]>>> wrote:

>     >     > What could possibly go wrong?

>     >     >

>     >     > -James Holton

>     >     > MAD Scientist

>     >     >

>     >     > On 6/29/2020 6:17 PM, Edward A. Berry wrote:

>     >     > > Now can we get rid of all the superfluous disks in our

>     RAID? Or at

>     >     > > least not replace them when they fail?

>     >     > >

>     >     > > On 06/29/2020 06:24 PM, Andreas Förster wrote:

>     >     > >> I like to think that the reflections I carefully measured

>     at high

>     >     > >> multiplicity are not redundant, which the dictionary on my

>     >     computer

>     >     > >> defines as "not or no longer needed or useful;

>     superfluous" and

>     >     the

>     >     > >> American Heritage Dictionary as "exceeding what is

>     necessary or

>     >     > >> natural; superfluous" and "needlessly repetitive; verbose".

>     >     > >>

>     >     > >> Please don't use the term Needless repetitivity in your Table

>     >     1.  It

>     >     > >> sends the wrong message.  Multiplicity is good.

>     >     > >>

>     >     > >> All best.

>     >     > >>

>     >     > >>

>     >     > >> Andreas

>     >     > >>

>     >     > >>

>     >     > >>

>     >     > >> On Tue, Jun 30, 2020 at 12:03 AM James Holton

>     <[log in to unmask] <mailto:[log in to unmask]>

>     >     <mailto:[log in to unmask] <mailto:[log in to unmask]>>

>     >     > >> <mailto:[log in to unmask] <mailto:[log in to unmask]>

>     <mailto:[log in to unmask] <mailto:[log in to unmask]>>>> wrote:

>     >     > >>

>     >     > >>     I have found that the use of "redundancy" vs

>     "multiplicity"

>     >     > >> correlates very well with the speaker's favorite processing

>     >     > >> software.  The Denzo/HKL program scalepack outputs

>     "redundancy",

>     >     > >> whereas scala/aimless and other more Europe-centric programs

>     >     output

>     >     > >> "multiplicity".

>     >     > >>

>     >     > >>     At least it is not as bad as "intensity", which is so

>     >     ambiguous

>     >     > >> as to be almost useless as a word on its own.

>     >     > >>

>     >     > >>     -James Holton

>     >     > >>     MAD Scientist

>     >     > >>

>     >     > >>     On 6/24/2020 10:27 AM, Bernhard Rupp wrote:

>     >     > >>>

>     >     > >>>     > Oh, and some of us prefer the word 'multiplicity'

>     ;-0____

>     >     > >>>

>     >     > >>>     Hmmm…maybe not. ‘Multiplicity’ in crystallography is

>     context

>     >     > >>> sensitive, and not uniquely defined. It can refer to ____

>     >     > >>>

>     >     > >>>      1. the position multiplicity (number of equivalent

>     sites per

>     >     > >>> unit cell, aka Wyckoff-Multiplicity), the only (!) cif

>     use of

>     >     > >>> multiplicity____

>     >     > >>>      2. the multiplicity of the reflection, which means the

>     >     > >>> superposition of reflections with the same /d/  (mostly

>     powder

>     >     > >>> diffraction) ____

>     >     > >>>      3. the multiplicity of observations, aka

>     redundancy.____

>     >     > >>>

>     >     > >>>     While (a) and (b) are clearly defined, (c) is an

>     arbitrary

>     >     > >>> experimental number.____

>     >     > >>>

>     >     > >>>     How from (a) real space symmetry follows (b) in

>     reciprocal

>     >     space

>     >     > >>> (including the epsilon zones, another ‘multiplicity’) is

>     >     explained

>     >     > >>> here ____

>     >     > >>>

>     >     > >>>     https://scripts.iucr.org/cgi-bin/paper?a14080

>     >     > >>>

>     >   

>      <https://urldefense.com/v3/__https://scripts.iucr.org/cgi-bin/paper?a14080__;!!GobTDDpD7A!Z-SrnEqSZwQOXWOwbMCkZ1GB3fvdFuQ5lzYUYwQdUVTCALc3j9O3xqX7-s72_nF7$>

>     >

>     >     > >>> ____

>     >     > >>>

>     >     > >>>     and also on page 306 in BMC.____

>     >     > >>>

>     >     > >>>     Too much multiplicity might create duplicity… ____

>     >     > >>>

>     >     > >>>     Cheers, BR____

>     >     > >>>

>     >     > >>>     __ __

>     >     > >>>

>     >     > >>>     Jon Cooper____

>     >     > >>>

>     >     > >>>     __ __

>     >     > >>>

>     >     > >>>     On 23 Jun 2020 22:04, "Peat, Tom (Manufacturing,

>     Parkville)"

>     >     > >>> <[log in to unmask] <mailto:[log in to unmask]

>     <mailto:[log in to unmask]>

>     >     <mailto:[log in to unmask] <mailto:[log in to unmask]>>>> wrote:____

>     >     > >>>

>     >     > >>>         I would just like to point out that for those of us

>     >     who have

>     >     > >>> worked too many times with P1 or P21 that even 360 degrees

>     >     will not

>     >     > >>> give you 'super' anomalous differences. ____

>     >     > >>>

>     >     > >>>         I'm not a minimalist when it comes to data-

>     redundancy

>     >     is a

>     >     > >>> good thing to have. ____

>     >     > >>>

>     >     > >>>         cheers, tom ____

>     >     > >>>

>     >     > >>>         __ __

>     >     > >>>

>     >     > >>>         Tom Peat

>     >     > >>>         Proteins Group

>     >     > >>>         Biomedical Program, CSIRO

>     >     > >>>         343 Royal Parade

>     >     > >>>         Parkville, VIC, 3052

>     >     > >>>         +613 9662 7304

>     >     > >>>         +614 57 539 419

>     >     > >>>         [log in to unmask] <mailto:[log in to unmask]

>     <mailto:[log in to unmask]>

>     >     <mailto:[log in to unmask] <mailto:[log in to unmask]>>> ____

>     >     > >>>

>     >     > >>>         __ __

>     >     > >>>

>     >     > >>>

>     >   

>      ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

>     >     > > --

>     >     > >>>

>     >     > >>>         *From:*CCP4 bulletin board

>     <[log in to unmask] <mailto:[log in to unmask]>

>     >     <mailto:[log in to unmask] <mailto:[log in to unmask]>>

>     >     > >>> <mailto:[log in to unmask]

>     <mailto:[log in to unmask]> <mailto:[log in to unmask]

>     <mailto:[log in to unmask]>>>>

>     >     on behalf of

>     >     > >>> [log in to unmask]

>     <mailto:[log in to unmask]>

>     >     <mailto:[log in to unmask]

>     <mailto:[log in to unmask]>>

>     >     > >>> <mailto:[log in to unmask]

>     <mailto:[log in to unmask]>

>     >     <mailto:[log in to unmask]

>     <mailto:[log in to unmask]>>>

>     >     > >>> <[log in to unmask]

>     <mailto:[log in to unmask]>

>     >     <mailto:[log in to unmask]

>     <mailto:[log in to unmask]>>

>     >     > >>> <mailto:[log in to unmask]

>     <mailto:[log in to unmask]>

>     >     <mailto:[log in to unmask]

>     <mailto:[log in to unmask]>>>>

>     >     > >>>         *Sent:* Wednesday, June 24, 2020 1:10 AM

>     >     > >>>         *To:* [log in to unmask]

>     <mailto:[log in to unmask]>

>     >     <mailto:[log in to unmask] <mailto:[log in to unmask]>>

>     <mailto:[log in to unmask] <mailto:[log in to unmask]>

>     >     <mailto:[log in to unmask] <mailto:[log in to unmask]>>>

>     >     > >>> <[log in to unmask] <mailto:[log in to unmask]>

>     <mailto:[log in to unmask] <mailto:[log in to unmask]>>

>     >     <mailto:[log in to unmask] <mailto:[log in to unmask]>

>     <mailto:[log in to unmask] <mailto:[log in to unmask]>>>>

>     >     > >>>         *Subject:* Re: [ccp4bb] number of frames to get

>     a full

>     >     > >>> dataset? ____

>     >     > >>>

>     >     > >>>         ____

>     >     > >>>

>     >     > >>>         Someone told me there is a cubic space group

>     where you

>     >     can

>     >     > >>> get away with something like 11 degrees of data. It would be

>     >     > >>> interesting if that's correct. These minimum ranges for data

>     >     > >>> collection rely on the crystal being pre-oriented, which is

>     >     > >>> unheard-of these days, although they can help if someone is

>     >     nagging

>     >     > >>> you to get off the beam line or if your diffraction fades

>     >     quickly.

>     >     > >>> Going for 180 degrees always makes sense for a well-behaved

>     >     crystal,

>     >     > >>> or 360 degrees if you want super anomalous differences.

>     Hope this

>     >     > >>> helps a bit. ____

>     >     > >>>

>     >     > >>>         Jon Cooper____

>     >     > >>>

>     >     > >>>         __ __

>     >     > >>>

>     >     > >>>         On 23 Jun 2020 07:29, Andreas Förster

>     >     > >>> <[log in to unmask]

>     <mailto:[log in to unmask]>

>     >     <mailto:[log in to unmask]

>     <mailto:[log in to unmask]>>

>     >     <mailto:[log in to unmask]

>     <mailto:[log in to unmask]>

>     >     <mailto:[log in to unmask]

>     <mailto:[log in to unmask]>>>>

>     >     > >>> wrote:____

>     >     > >>>

>     >     > >>>             Hi Murpholino,____

>     >     > >>>

>     >     > >>>             __ __

>     >     > >>>

>     >     > >>>             in my opinion (*), the question is neither

>     number of

>     >     > >>> frames nor degrees.  The only thing that matters to your

>     >     crystal is

>     >     > >>> dose.  How many photons does your crystal take before it

>     dies? 

>     >     > >>> Consequently, the question to ask is How best to use

>     photons. 

>     >     Some

>     >     > >>> people have done exactly that.____

>     >     > >>>

>     >     > >>>             https://doi.org/10.1107/S2059798319003528

>     >     > >>>

>     >   

>      <https://urldefense.com/v3/__https://doi.org/10.1107/S2059798319003528__;!!GobTDDpD7A!Z-SrnEqSZwQOXWOwbMCkZ1GB3fvdFuQ5lzYUYwQdUVTCALc3j9O3xqX7-hiQXkxe$>____

>     >     > >>>

>     >     > >>>

>     >     > >>>             All best.____

>     >     > >>>

>     >     > >>>             __ __

>     >     > >>>

>     >     > >>>             __ __

>     >     > >>>

>     >     > >>>             Andreas____

>     >     > >>>

>     >     > >>>             __ __

>     >     > >>>

>     >     > >>>             __ __

>     >     > >>>

>     >     > >>>             (*) Disclaimer:  I benefit when you use

>     PILATUS or

>     >     EIGER

>     >     > >>> - but I want you to use them to your advantage.____

>     >     > >>>

>     >     > >>>             __ __

>     >     > >>>

>     >     > >>>             __ __

>     >     > >>>

>     >     > >>>             __ __

>     >     > >>>

>     >     > >>>             On Tue, Jun 23, 2020 at 12:04 AM Murpholino

>     Peligro

>     >     > >>> <[log in to unmask] <mailto:[log in to unmask]>

>     <mailto:[log in to unmask] <mailto:[log in to unmask]>>

>     >     <mailto:[log in to unmask] <mailto:[log in to unmask]>

>     <mailto:[log in to unmask] <mailto:[log in to unmask]>>>>

>     >     wrote:____

>     >     > >>>

>     >     > >>>                 Hi.

>     >     > >>>                 Quick question...____

>     >     > >>>

>     >     > >>>                 I have seen *somewhere* that to get a 'full

>     >     dataset

>     >     > >>> we need to collect n frames':____

>     >     > >>>

>     >     > >>>                 at least 180 frames if symmetry is X____

>     >     > >>>

>     >     > >>>                 at least 90 frames if symmetry is Y____

>     >     > >>>

>     >     > >>>                 at least 45 frames if symmetry is Z____

>     >     > >>>

>     >     > >>>                 Can somebody point where is *somewhere*?

>     ____

>     >     > >>>

>     >     > >>>                 __ __

>     >     > >>>

>     >     > >>>                 ...also...____

>     >     > >>>

>     >     > >>>                 what other factors can change n... besides

>     >     symmetry

>     >     > >>> and radiation damage?____

>     >     > >>>

>     >     > >>>                 __ __

>     >     > >>>

>     >     > >>>                 Thanks____

>     >     > >>>

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>     >     > >>>

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>     Sales

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>     <mailto:[log in to unmask]>>>____

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