[ccp4bb] {Spam?} Re: {Spam?} Re: [ccp4bb] {Spam?} Re: {Spam?} Re: [ccp4bb] units of the B factor

2009-11-20 Thread Frank von Delft
Eh?  m and Å are related by the dimensionless quantity 10,000,000,000. 


Vive la révolution!




Marc SCHILTZ wrote:

Frank von Delft wrote:

Hi Marc

Not at all, one uses units that are convenient.  By your reasoning we 
should get rid of Å, atmospheres, AU, light years...  They exist not 
to be obnoxious, but because they're handy for a large number of 
people in their specific situations.


Hi Frank,

I think that you misunderstood me. Å and atmospheres are units which 
really refer to physical quantities of different dimensions. So, of 
course, there must be different units for them (by the way: atmosphere 
is not an accepted unit in the SI system - not even a tolerated non SI 
unit, so a conscientious editor of an IUCr journal would not let it go 
through. On the other hand, the Å is a tolerated non SI unit).


But in the case of B and U, the situation is different. These two 
quantities have the same dimension (square of a length). They are 
related by the dimensionless factor 8*pi^2. Why would one want to 
incorporate this factor into the unit ? What advantage would it have ?


The physics literature is full of quantities that are related by 
multiples of pi. The frequency f of an oscillation (e.g. a sound wave) 
can be expressed in s^-1 (or Hz). The same oscillation can also be 
charcterized by its angular frequency \omega, which is related to the 
former by a factor 2*pi. Yet, no one has ever come up to suggest that 
this quantity should be given a new unit. Planck's constant h can be 
expressed in J*s. The related (and often more useful) constant h-bar = 
h/(2*pi) is also expressed in J*s. No one has ever suggested that this 
should be given a different unit.


The SI system (and other systems as well) has been specially crafted 
to avoid the proliferation of units. So I don't think that we can 
(should) invent new units whenever it appears convenient. It would 
bring us back to times anterior to the French revolution.


Please note: I am not saying that the SI system is the definite choice 
for every purpose. The nautical system of units (nautical mile, knot, 
etc.) is used for navigation on sea and in the air and it works fine 
for this purpose. However, within a system of units (whichever is 
adopted), the number of different units should be kept reasonably small.


Cheers

Marc







Sounds familiar...
phx




Marc SCHILTZ wrote:

Hi James,

James Holton wrote:
Many textbooks describe the B factor as having units of square 
Angstrom (A^2), but then again, so does the mean square atomic 
displacement u^2, and B = 8*pi^2*u^2.  This can become confusing if 
one starts to look at derived units that have started to come out 
of the radiation damage field like A^2/MGy, which relates how much 
the B factor of a crystal changes after absorbing a given dose.  Or 
is it the atomic displacement after a given dose?  Depends on which 
paper you are looking at.


There is nothing wrong with this. In the case of derived units, 
there is almost never a univocal relation between the unit and the 
physical quantity that it refers to. As an example: from the unit 
kg/m^3, you can not tell what the physical quantity is that it 
refers to: it could be the density of a material, but it could also 
be the mass concentration of a compound in a solution. Therefore, 
one always has to specify exactly what physical quantity one is 
talking about, i.e. B/dose or u^2/dose, but this is not something 
that should be packed into the unit (otherwise, we will need 
hundreds of different units)


It simply has to be made clear by the author of a paper whether the 
quantity he is referring to is B or u^2.



It seems to me that the units of B and u^2 cannot both be A^2 
any more than 1 radian can be equated to 1 degree.  You need a 
scale factor.  Kind of like trying to express something in terms of 
1/100 cm^2 without the benefit of mm^2.  Yes, mm^2 have the 
dimensions of cm^2, but you can't just say 1 cm^2 when you really 
mean 1 mm^2! That would be silly.  However, we often say B = 80 
A^2, when we really mean is 1 A^2 of square atomic displacements. 


This is like claiming that the radius and the circumference of a 
circle would need different units because they are related by the 
scale factor 2*pi.


What matters is the dimension. Both radius and circumference have 
the dimension of a length, and therefore have the same unit. Both B 
and u^2 have the dimension of the square of a length and therefoire 
have the same unit. The scalefactor 8*pi^2 is a dimensionless 
quantity and does not change the unit.



The B units, which are ~1/80th of a A^2, do not have a name.  So, 
I think we have a new unit?  It is A^2/(8pi^2) and it is the 
units of the B factor that we all know and love.  What should we 
call it?  I nominate the Born after Max Born who did so much 
fundamental and far-reaching work on the nature of disorder in 
crystal lattices.  The unit then has the symbol B, which will 
make it easy to say that the B 

Re: [ccp4bb] {Spam?} Re: {Spam?} Re: [ccp4bb] {Spam?} Re: {Spam?} Re: [ccp4bb] units of the B factor

2009-11-20 Thread Herman . Schreuder
But in this case you are no longer defining distances but some other arbitrary 
quantity, like vendors do when they convert a small computer speaker into a 
rockband PA by using PMPO instead of music power.  
Herman

-Original Message-
From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of Frank von 
Delft
Sent: Friday, November 20, 2009 1:11 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] {Spam?} Re: {Spam?} Re: [ccp4bb] {Spam?} Re: {Spam?} Re: 
[ccp4bb] units of the B factor

Eh?  m and Å are related by the dimensionless quantity 10,000,000,000. 

Vive la révolution!




Marc SCHILTZ wrote:
 Frank von Delft wrote:
 Hi Marc

 Not at all, one uses units that are convenient.  By your reasoning we 
 should get rid of Å, atmospheres, AU, light years...  They exist not 
 to be obnoxious, but because they're handy for a large number of 
 people in their specific situations.

 Hi Frank,

 I think that you misunderstood me. Å and atmospheres are units which 
 really refer to physical quantities of different dimensions. So, of 
 course, there must be different units for them (by the way: atmosphere 
 is not an accepted unit in the SI system - not even a tolerated non SI 
 unit, so a conscientious editor of an IUCr journal would not let it go 
 through. On the other hand, the Å is a tolerated non SI unit).

 But in the case of B and U, the situation is different. These two 
 quantities have the same dimension (square of a length). They are 
 related by the dimensionless factor 8*pi^2. Why would one want to 
 incorporate this factor into the unit ? What advantage would it have ?

 The physics literature is full of quantities that are related by 
 multiples of pi. The frequency f of an oscillation (e.g. a sound wave) 
 can be expressed in s^-1 (or Hz). The same oscillation can also be 
 charcterized by its angular frequency \omega, which is related to the 
 former by a factor 2*pi. Yet, no one has ever come up to suggest that 
 this quantity should be given a new unit. Planck's constant h can be 
 expressed in J*s. The related (and often more useful) constant h-bar =
 h/(2*pi) is also expressed in J*s. No one has ever suggested that this 
 should be given a different unit.

 The SI system (and other systems as well) has been specially crafted 
 to avoid the proliferation of units. So I don't think that we can
 (should) invent new units whenever it appears convenient. It would 
 bring us back to times anterior to the French revolution.

 Please note: I am not saying that the SI system is the definite choice 
 for every purpose. The nautical system of units (nautical mile, knot,
 etc.) is used for navigation on sea and in the air and it works fine 
 for this purpose. However, within a system of units (whichever is 
 adopted), the number of different units should be kept reasonably small.

 Cheers

 Marc






 Sounds familiar...
 phx




 Marc SCHILTZ wrote:
 Hi James,

 James Holton wrote:
 Many textbooks describe the B factor as having units of square 
 Angstrom (A^2), but then again, so does the mean square atomic 
 displacement u^2, and B = 8*pi^2*u^2.  This can become confusing if 
 one starts to look at derived units that have started to come out 
 of the radiation damage field like A^2/MGy, which relates how much 
 the B factor of a crystal changes after absorbing a given dose.  Or 
 is it the atomic displacement after a given dose?  Depends on which 
 paper you are looking at.

 There is nothing wrong with this. In the case of derived units, 
 there is almost never a univocal relation between the unit and the 
 physical quantity that it refers to. As an example: from the unit 
 kg/m^3, you can not tell what the physical quantity is that it 
 refers to: it could be the density of a material, but it could also 
 be the mass concentration of a compound in a solution. Therefore, 
 one always has to specify exactly what physical quantity one is 
 talking about, i.e. B/dose or u^2/dose, but this is not something 
 that should be packed into the unit (otherwise, we will need 
 hundreds of different units)

 It simply has to be made clear by the author of a paper whether the 
 quantity he is referring to is B or u^2.


 It seems to me that the units of B and u^2 cannot both be A^2 
 any more than 1 radian can be equated to 1 degree.  You need a 
 scale factor.  Kind of like trying to express something in terms of 
 1/100 cm^2 without the benefit of mm^2.  Yes, mm^2 have the 
 dimensions of cm^2, but you can't just say 1 cm^2 when you really 
 mean 1 mm^2! That would be silly.  However, we often say B = 80 
 A^2, when we really mean is 1 A^2 of square atomic displacements.

 This is like claiming that the radius and the circumference of a 
 circle would need different units because they are related by the 
 scale factor 2*pi.

 What matters is the dimension. Both radius and circumference have 
 the dimension of a length, and therefore have the same unit. Both B 
 and u^2 have the dimension

Re: [ccp4bb] {Spam?} Re: {Spam?} Re: [ccp4bb] {Spam?} Re: {Spam?} Re: [ccp4bb] units of the B factor

2009-11-20 Thread Marc SCHILTZ

Yes, but Å is really only just tolerated.
It has evaded the Guillotine - for the time being ;-)


Frank von Delft wrote:
Eh?  m and Å are related by the dimensionless quantity 10,000,000,000. 


Vive la révolution!




Marc SCHILTZ wrote:

Frank von Delft wrote:

Hi Marc

Not at all, one uses units that are convenient.  By your reasoning we 
should get rid of Å, atmospheres, AU, light years...  They exist not 
to be obnoxious, but because they're handy for a large number of 
people in their specific situations.

Hi Frank,

I think that you misunderstood me. Å and atmospheres are units which 
really refer to physical quantities of different dimensions. So, of 
course, there must be different units for them (by the way: atmosphere 
is not an accepted unit in the SI system - not even a tolerated non SI 
unit, so a conscientious editor of an IUCr journal would not let it go 
through. On the other hand, the Å is a tolerated non SI unit).


But in the case of B and U, the situation is different. These two 
quantities have the same dimension (square of a length). They are 
related by the dimensionless factor 8*pi^2. Why would one want to 
incorporate this factor into the unit ? What advantage would it have ?


The physics literature is full of quantities that are related by 
multiples of pi. The frequency f of an oscillation (e.g. a sound wave) 
can be expressed in s^-1 (or Hz). The same oscillation can also be 
charcterized by its angular frequency \omega, which is related to the 
former by a factor 2*pi. Yet, no one has ever come up to suggest that 
this quantity should be given a new unit. Planck's constant h can be 
expressed in J*s. The related (and often more useful) constant h-bar = 
h/(2*pi) is also expressed in J*s. No one has ever suggested that this 
should be given a different unit.


The SI system (and other systems as well) has been specially crafted 
to avoid the proliferation of units. So I don't think that we can 
(should) invent new units whenever it appears convenient. It would 
bring us back to times anterior to the French revolution.


Please note: I am not saying that the SI system is the definite choice 
for every purpose. The nautical system of units (nautical mile, knot, 
etc.) is used for navigation on sea and in the air and it works fine 
for this purpose. However, within a system of units (whichever is 
adopted), the number of different units should be kept reasonably small.


Cheers

Marc






Sounds familiar...
phx




Marc SCHILTZ wrote:

Hi James,

James Holton wrote:
Many textbooks describe the B factor as having units of square 
Angstrom (A^2), but then again, so does the mean square atomic 
displacement u^2, and B = 8*pi^2*u^2.  This can become confusing if 
one starts to look at derived units that have started to come out 
of the radiation damage field like A^2/MGy, which relates how much 
the B factor of a crystal changes after absorbing a given dose.  Or 
is it the atomic displacement after a given dose?  Depends on which 
paper you are looking at.
There is nothing wrong with this. In the case of derived units, 
there is almost never a univocal relation between the unit and the 
physical quantity that it refers to. As an example: from the unit 
kg/m^3, you can not tell what the physical quantity is that it 
refers to: it could be the density of a material, but it could also 
be the mass concentration of a compound in a solution. Therefore, 
one always has to specify exactly what physical quantity one is 
talking about, i.e. B/dose or u^2/dose, but this is not something 
that should be packed into the unit (otherwise, we will need 
hundreds of different units)


It simply has to be made clear by the author of a paper whether the 
quantity he is referring to is B or u^2.



It seems to me that the units of B and u^2 cannot both be A^2 
any more than 1 radian can be equated to 1 degree.  You need a 
scale factor.  Kind of like trying to express something in terms of 
1/100 cm^2 without the benefit of mm^2.  Yes, mm^2 have the 
dimensions of cm^2, but you can't just say 1 cm^2 when you really 
mean 1 mm^2! That would be silly.  However, we often say B = 80 
A^2, when we really mean is 1 A^2 of square atomic displacements. 
This is like claiming that the radius and the circumference of a 
circle would need different units because they are related by the 
scale factor 2*pi.


What matters is the dimension. Both radius and circumference have 
the dimension of a length, and therefore have the same unit. Both B 
and u^2 have the dimension of the square of a length and therefoire 
have the same unit. The scalefactor 8*pi^2 is a dimensionless 
quantity and does not change the unit.



The B units, which are ~1/80th of a A^2, do not have a name.  So, 
I think we have a new unit?  It is A^2/(8pi^2) and it is the 
units of the B factor that we all know and love.  What should we 
call it?  I nominate the Born after Max Born who did so much 
fundamental and far-reaching work on the nature 

Re: [ccp4bb] {Spam?} Re: {Spam?} Re: [ccp4bb] {Spam?} Re: {Spam?} Re: [ccp4bb] units of the B factor

2009-11-20 Thread Philippe DUMAS

What a funny  pleasant piece of discussion !

Given any physical quantity Something, having any kind of dimension 
(even as awful as inches^2*gallons*pounds^-3)
Would it exist any room for a discussion about the dimension of  
2*Something ? And what about  1*Something ?


Philippe Dumas


attachment: p_dumas.vcf

Re: [ccp4bb] {Spam?} Re: {Spam?} Re: [ccp4bb] {Spam?} Re: {Spam?} Re: [ccp4bb] units of the B factor

2009-11-20 Thread Gerard DVD Kleywegt

What a funny  pleasant piece of discussion !

Given any physical quantity Something, having any kind of dimension (even 
as awful as inches^2*gallons*pounds^-3)
Would it exist any room for a discussion about the dimension of  2*Something 
? And what about  1*Something ?


(1) You can always convert anything into anything else (related to it by a 
scale factor) using Google, e.g.:


http://www.google.com/search?hl=enq=2+fortnights+in+msec

http://www.google.com/search?hl=enq=7+furlongs+in+mm

http://www.google.com/search?hl=enq=7+square+angstrom+in+cm%5E2

To answer your question:

   http://www.google.com/search?hl=enq=1+inches%5E2*gallons*pounds%5E-3

So: 1 inches^2*gallons*pounds^-3 = 2.61687719 10^-5 m^5 / kg^3 (assuming US 
gallons! If you meant imperial gallons, the answer is 3.14273976 10^-5 m^5 / 
kg^3).


(2) With respect to the subject of this thread, can I have my spam, spam, 
spam, spam and units with eggs, please? 
(http://www.youtube.com/watch?v=cFrtpT1mKy8)


--dvd

**
   Gerard J.  Kleywegt
   Dept. of Cell  Molecular Biology  University of Uppsala
   Biomedical Centre  Box 596
   SE-751 24 Uppsala  SWEDEN

http://xray.bmc.uu.se/gerard/  mailto:ger...@xray.bmc.uu.se
**
   The opinions in this message are fictional.  Any similarity
   to actual opinions, living or dead, is purely coincidental.
**