Re: Problems using TOPAS R (Rietveld refinement)

2007-03-12 Thread Leandro Bravo
I think that I just did a good job in my quantification: 50,2% calcite and 49,8% dolomite. Now I´m moving foward to a sinthetic mixture of calcite, dolomite and kaolinite. I have other questin, how can I determine a trustable value to the Full Axial Model?! Especially the these paramters: samp

Re: Problems using TOPAS R (Rietveld refinement)

2007-03-12 Thread jilin_zhang_Houston
Leandro : here is an example of calcite I used. You can use min and max to confine the parameters. One way to know whether it is right is to mix a known fraction of a compound, e.g. ZnO with a ratio of original sample/ZnO=100/15. At the end of the refinement, you have N components with N corr

RE: N-TOF

2007-03-12 Thread Von Dreele, Robert B.
Juske, One point you should know the background in a TOF powder diffraction pattern is not high - that is a nearly constant background multiplied by a strongly varying incident spectrum which is much higher at short TOF than at long TOF. Do a "divide by incident spectrum" and you wll see what I mea

Problems using TOPAS R (Rietveld refinement)

2007-03-12 Thread Leandro Bravo
Hi, guys, I´m having some trouble using the Bruker software TOPAS R, right now I´m quantifying a sinthetic sample with 50% of calcite and 50% of dolomite. Check the following questions an help me if you can. 1) I´m using the CIF files from ICSD, but when I put it in the software it gives me

N-TOF

2007-03-12 Thread Horita, Juske
Dear all: We're in the midst of Rietveld refinements of neutron TOF data acquired at LANSCE NPDF. The NPDF gives very high backgrounds in low d- values (TOF time), which drop quickly with d-value. After many iterations, the fit between the data and model looks very reasonable, including the b

Re: wt% to volume percent

2007-03-12 Thread Luca Lutterotti
Dear Tony, diffraction intensity are sensible to volume fractions, not weight percent. What you see in the Rietveld formulas are weight fractions because they convert the scale parameter (in which there is the volume fraction) into weight fractions using the density (the ZMV factor contai

Re: wt% to volume percent

2007-03-12 Thread Michael C. Andrews
I think that if you have normalised wt% (or you're sure that all phases are identified and you get a total of 100 wt%) then you can divide each wt% by the phase density and renormalise. If you have an unidentified phase then it is not really practicable as you would have to estimate (or guess i