I don't think that the term "semi-quantitative" is defined sharp enough to provide a basis for a serious statistical evaluation. In geosciences typically "semi-quantitative" is attributed to data where an estimation of errors is missing, that have been never cross-checked by an independent method, and so they are suspected to be biased by serious systematic errors. If so, than datasets originating from different sources cannot be treated seriously together in a statistical evaluation, per definition. In the best case, they can be used to compare samples of one series measured with the same instrument and analyzed by the same procedure. Unfortunately many authors report "wt%" even in "semi-quantitative" phase analysis, what suggests compatibility. This is misleading and should be avoided. For the statistical evaluation of a series of comparably measured diffraction patterns of one geological object it seems more serious to apply cluster analysis of the raw patterns or to use any intensity ratios. But of course the best way is to improve the evaluation method to be really "quantitative", i.e. free of systematic error and evaluated by realistic e.s.d.'s.

Reinhard Kleeberg

Am 13/11/2014 18:53, schrieb James Talbot:
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


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