Antw: Statistics on semi-quantitative XRD data

2014-11-13 Thread Nicola Doebelin
James,

This may be of interest:

Stutzman, P. (2005). Powder diffraction analysis of hydraulic cements: ASTM 
Rietveld round-robin results on precision, Powder Diffraction 20(2), 97-100.

The study design and statistical evaluation is based on ASTM E 691.

Regards,
Nicola


-- 
Nicola Döbelin
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Skeletal Substitutes Group
RMS Foundation
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website: www.rms-foundation.ch 


 James Talbot ja...@ktgeo.com schrieb am 13.11.2014 um 18:53:
 Hello All,
 
 I had the following request from a client:
 
 I am looking for examples of statistics used on semi-quantitative 
 data, i.e. comparing XRD results of multiple samples.  Do you have 
 any recommendations or know of any papers that clearly explain their 
 statistical methods?  In so many papers, it is glossed over.  I have 
 a pretty good handle on my stats, but would prefer to see what other 
 have done with XRD datasets.
 
 Can anyone help with this.?  I do not know of any of the top of my head.
 
 Thanks in advance,
 James Talbot
 
 
 K-T GeoServices, Inc.
 970-641-1235 (office)
 940-597-9076 (mobile)
 219 North Iowa Street, Unit J
 Gunnison  CO  81230-2479
 www.ktgeo.com 
 

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Antw: RE: advice on new powder diffractometer

2008-02-19 Thread Nicola Doebelin
From my understanding 'noise' is the random signal superimposed to the
background and the peaks. The signal to noise ratio would be peak above
background / random signal, and this should improve with longer
measurement time.

Nic

 Michael Glazer [EMAIL PROTECTED] 02/19/08 9:42 am 
As I have said in reply to Leonid, I don't know why we have such a
large difference in our experimental setup. It may be that our 0.02
slits are misaligned -- I will have to check this.

The question of what is meant by signal to noise ratio in connection
with powder diffraction is one which I have been trying to find out
about. You see this term used quite often in papers and in general
discussion, but I have still to discover how one works it out in a
properly defined way with regards to powder diffraction. It is well
defined in radio frequency signals.

One could for example take, as you have said the peak height minus the
background and divide by the background as one measure, a value which
would tend to zero as the peak becomes smaller. This definition would
also imply that increasing measurement time has no effect on signal to
noise ratio, since both peak and background would simply scale up with
time, in which case we might as well measure for negligible amount of
time.

Or else one could take the peak intensity divided by the square root of
the background: this at least would improve with measurement time.

For instance suppose we have a peak above background of 1 counts
and a background of 1000 counts, this would give a signal to noise ratio
of roughly 322. If we measure ten times longer, the peak intensity
becomes 10 and the background becomes 1, giving a signal to
noise ratio of 1000, an improvement!
 So my question remains: what is the definition of signal to noise
ratio that is accepted for powder diffraction?
 

Mike

**

-Original Message-
From: Van der Lee [mailto:[EMAIL PROTECTED] 
Sent: 19 February 2008 07:39
To: rietveld_l@ill.fr 
Subject: Re: advice on new powder diffractometer

After having purchased the set of 0.02 soller slits in Dec. 03 I have
done some comparison tests on the (111) silicon peak under identical
conditions except for the change of the primary and secondary sollers:
   background Bpeak height PH
0.0295 8580
0.04   32018900
negliable change on the FWHM

so not an intensity drop with a factor of 25, neither 4, but only
slightly larger than 2.

How do I define signal/background ratio? There is not much scientific
in it, it serves only to compare qualitatively these kind of 'optical' 
elements; it should be something like (PH-B)/B or more generally Bragg
scattering intensity to non-Bragg-scattering intensity.

Arie


 Dear Mike,
 
 Normally, changing sollers must not influence the signal/background 
 ratio. Wider sollers, however, make the primary beam wider and if the

 sample diameter is small then a parasitic scattering from the sample

 holder edges may appear.
 
 I am really surprised that moving from 0.04 Soller slits to 0.02 you

 got 25 times intensity reduction. When I change the primary soller 
 from
 0.04 to 0.02 the intensity drops ~2 times, so if you changed both the

 primary and the secondary sollers the intensity should decrease ~4 
 times, but not 25 times.
 
 Leonid Solovyov
 
 How do you define signal to noise in powder diffraction? I have seen
 
 this term used several times, but I have not found a definition so
 far
  with regard to powder diffraction per se. 
 I have just done two runs on a Panalytical one with 0.04 soller
slits  
 and one with 0.02 (both with a CuKa1 premonochromator) both for
 about 9
  hours. The strongest peak for the 0.02 case is 2700 counts, half
 width
  0.08 degrees and a background of 25 counts. The same peak with the
 0.04
  slits  has 7 counts, half width 0.11 degrees and a background
of  
 700 counts.


 Mike Glazer
 
 
 
   

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***
A. van der Lee
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