Dear all,

While following the development of this thread, I am truly amazed how people 
cling to names for the number of measurements per reflection whose meaning:

  *   Depends on the cultural/engineering/scientific context
  *   Can only be understood by experts
  *   Where the experts, as witnessed by the discussions in this thread, do not 
agree on which name to use.

What is wrong with the name “measurements per reflection”? The definition for 
measurement is the same as is used to calculate the multiplicity/redundancy.
The only disadvantage I see is that it can be understood by non-experts as 
well, which reminds me of medical doctors, who invent complicated Latin names 
for common ailments to prevent patients to understand where they are talking 
about.

Another 2 cents/pennies from my side,
Herman



Von: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> Im Auftrag von James Holton
Gesendet: Mittwoch, 1. Juli 2020 20:52
An: CCP4BB@JISCMAIL.AC.UK
Betreff: [EXTERNAL] Re: [ccp4bb] number of frames to get a full dataset?


EXTERNAL : Real sender is 
owner-ccp...@jiscmail.ac.uk<mailto:owner-ccp...@jiscmail.ac.uk>


Sorry to take this thread on a detour/diversion: What I was attempting to point 
out below, perhaps unclearly, is that the different interpretations of the word 
"redundant" are a cultural difference.  As a student of multiple English 
languages perhaps I can explain:

Few US English speakers know that in UK/European/Australian English the word 
"redundant" has a strong negative connotation. I, for one, was surprised to 
learn that the phrase "made redundant" is used in the UK to describe loss of 
employment.  That is, a layoff, firing or perhaps a furlough. So, I think it 
important to spell out for my fellow US English speakers that the emotional 
ties to this negative connotation can be strong ones.

Conversely, many UK English speakers do not know that in US English the word 
"redundant" has a strong positive connotation.  We never use the phrase "made 
redundant" to describe a lost job.  Most Americans I think would be confused by 
such a turn of phrase. If a US English speaker was told their jobs was "made 
redundant" they would most likely think that a new hire was onboarded to back 
them up.  This would imply that their job was so important that the company 
wanted at least two people doing it, just in case you got hit by a bus. This 
strong positive connotation also has emotional roots.

Personally, I prefer the positive connotation. Perhaps that is my cultural 
bias, or perhaps I just generally believe that positivity is better than 
negativity. Maybe I'm just a "nice" guy. The meaning of the word "nice" has 
changed enormously over the last few hundred years, and I don't think we're 
going to change that any more than we are going to change the meaning of 
"redundant" in these two major forms of English.

However, just because a word has slightly different meanings in two slightly 
different languages does not mean we should abandon it.  Are we going to stop 
eating "chips" just because we are not sure if our fried potato will come as 
sliced wedges or thin crispy wafers? If you are unhappy with your meal, is it 
the fault of the culture you are visiting? or the customer for forgetting where 
they are? Context is everything.

So, for those unfamiliar with one or more of the major English-speaking 
cultures, here are a few other important differences to be aware of:
"Football" may not be the game you think it is.
If you are offered a "biscuit" in the US, do not expect it to be sweet.
If you want to leave a building you should take the "lift" to the "ground 
floor", but if you take an "elevator" get off on the "1st floor".
A "dummy" is a pacifier for a baby in the UK/Australia, but in the US it only 
means an unintelligent person, or a plastic replica of one.
"please" and "thank you" are considered baseline politeness in some English 
cultures, but their excessive use in others, such as the US, can be seen as 
rude.
A "tap" in the US dispenses beer, water comes out of a "faucet".
A "flat" in the US is not a place to live, but rather where we test rocket cars.
"Gas" can be a liquid in the US.
"Rubber" is a substance in both languages, but in the US a lump of it meant for 
erasing pencil marks is an "eraser". Do not ask for a "rubber" at the shop 
unless you are sure which country you are in.
A "holiday" in the US is a special day on the calendar when everyone gets off 
work, not just when an individual takes a "vacation".
If you go walking down the "pavement" you are risking getting hit by a car in 
the US, because that is what we call the road bed, not the "sidewalk".
A "torch", is a handheld electric light in the UK, but in the US it is a 
flaming stick of wood.
A "queue" is a line of people in the UK, but in the US it is known only to 
computer scientists submitting jobs on a cluster.

Then there are words like "capillary", which means the same thing in both 
languages but the alternate pronunciations never fail to enrage someone. It is 
perhaps odd that since US English and UK English are spoken with many different 
accents we pronounce essentially every word at least slightly differently, but 
for some reason "capillary" makes people angry.  Same with "schedule". Equally 
emotional responses arise from how you pronounce the letter "z".  Go figure.

Similar ire is risen for spelling. My favourite/favorite is aluminum/aluminium, 
but equally divisive are colour/color, tire/tyre, cheque/check, gray/grey, 
theatre/theater, pyjamas/pajamas, and many others.

It is at this stage when you will find people of another culture trying to 
"correct" you on how to speak or write your own language. This can be confusing 
because you will probably not be corrected for calling a "courgette" a 
"zucchini", especially if you are Italian. However, a native Hindi speaker 
might feel compelled to correct your pronunciation of "shampoo".  I am not 
singling out any one culture here, we have all given in to the temptation to 
"correct" someone, perhaps even while visiting their home.  Ahh, the errors of 
my youth.

All that said, I don't think this forum is the place to discuss cultural 
differences.  This is especially true once we start using words like 
"correct"/"incorrect" and "right"/"wrong", as these tend to generate far more 
heat than light.  However, I do think it important to identify and describe 
cultural differences when they start to impede scientific discussion.  It is OK 
to disagree.  But let it be over interpretation of complete information that 
both parties possess, not preconceived notions nor ignorance of the complete 
picture. If we understand WHY another person thinks in a way we find 
disagreeable, then perhaps we have a better chance of moving forward and 
enjoying the upcoming celebrations of 
Independence/GoodRiddanceUngratefulColonials Day.

Whatever you call it, an eggplant or an an aubergine, its odour/odor and 
flavour/flavor are the same.  I apologize/apologise to my neighbours/neighbors 
across the Lake/Pond for my behaviour/behavior if you are not 
enamoured/enamored with my endeavour/endeavor at humor/humour.  It is not my 
specialty/speciality.  fullstop/period.

-James Holton
MAD Scientist

On 6/29/2020 3:36 PM, Bernhard Rupp wrote:
I think it is time to escalate that discussion to crystallographic definition 
purists like Massimo or to a logical consistency proponent like Ian who abhors 
definitional vacuum 😊

Cheers, BR

From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK><mailto:CCP4BB@JISCMAIL.AC.UK> 
On Behalf Of Andreas Förster
Sent: Monday, June 29, 2020 15:24
To: CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK>
Subject: Re: [ccp4bb] number of frames to get a full dataset?

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 
<jmhol...@lbl.gov<mailto:jmhol...@lbl.gov>> 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.proofpoint.com/v2/url?u=https-3A__scripts.iucr.org_cgi-2Dbin_paper-3Fa14080&d=DwMDaQ&c=Dbf9zoswcQ-CRvvI7VX5j3HvibIuT3ZiarcKl5qtMPo&r=HK-CY_tL8CLLA93vdywyu3qI70R4H8oHzZyRHMQu1AQ&m=025oXsnvRL4AqAxdBANLfgLNLNHLphk5XPg2FPQ_nZw&s=KFT8jUw_zkqQeB2t4sBiDnPMex6JiG4s-IvqTlmJfMo&e=>
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)" 
<tom.p...@csiro.au<mailto:tom.p...@csiro.au>> 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
tom.p...@csiro.au<mailto:tom.p...@csiro.au>

________________________________
From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK>> 
on behalf of 
00000c2488af9525-dmarc-requ...@jiscmail.ac.uk<mailto:00000c2488af9525-dmarc-requ...@jiscmail.ac.uk>
 
<00000c2488af9525-dmarc-requ...@jiscmail.ac.uk<mailto:00000c2488af9525-dmarc-requ...@jiscmail.ac.uk>>
Sent: Wednesday, June 24, 2020 1:10 AM
To: CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK> 
<CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK>>
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 
<andreas.foers...@dectris.com<mailto:andreas.foers...@dectris.com>> 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.proofpoint.com/v2/url?u=https-3A__doi.org_10.1107_S2059798319003528&d=DwMDaQ&c=Dbf9zoswcQ-CRvvI7VX5j3HvibIuT3ZiarcKl5qtMPo&r=HK-CY_tL8CLLA93vdywyu3qI70R4H8oHzZyRHMQu1AQ&m=025oXsnvRL4AqAxdBANLfgLNLNHLphk5XPg2FPQ_nZw&s=vmY2qSR55f7xljX2VNmMdXFMjHKSzNBEHyahDSdXWXw&e=>

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 
<murpholi...@gmail.com<mailto:murpholi...@gmail.com>> 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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