source: trunk/Exercises/TOF_QPRR/205c-tof.res @ 1649

#  This template is to be used for the reporting of the results for 
#   the IUCr CPD round robin on Quantitative Phase Analysis for :-
#
#          *****     Data supplied by the CPD     *****
#
#
#   INSTRUCTIONS for use of this template
#
#  1.   Overwrite ONLY the fields in the <brackets> - remove existing text 
#       between the <brackets>
#
#  2.   DO NOT change the order of the lines or any of the other fields except 
#       where indicated - these will be used to collate information during 
#       data analysis.  
#
#  3.   All participant names, birthmarks and institutions are 
#       considered confidential, only participant numbers are published.
#
#  4.   PLEASE - submit all other relevant files such as final updated Rietveld
#       input file and the final output file.
#
#  5.   FILE NAMES - to make our job easier, use your participant number
#       at the start of your file name(s) with a C indicating CPD data.
#       Your results file MUST have the .RES extension. Examples are:-
#
#         123c.res -    Results file from participant 123 (i.e. this file modified) 
#         123c-1a.out - Final Rietveld output file from participant 123 for sample 1a
#         123c-2.inp  - Final input file from participant 123 for sample 2
#         123c.txt -    Any other text information from participant 123 
#                       to be communicated to the organisers.
#
#  6.   If performing multiple analyses (i.e. different analytical procedures),
#       duplicate the sample information in the RESULTS SECTION. For example,
#       for duplicate measurements of sample 1a, simply 'cut and paste' the 
#       headings to form:-
#
#                 Sample_ID 1a-r1
#                 'Corundum'    <enter analysed wt% >    <enter error in wt%>
#                 'Fluorite'    <enter analysed wt% >    <enter error in wt%>
#                 'Zincite'     <enter analysed wt% >    <enter error in wt%>
#
#                 Sample_ID 1a-r2
#                 'Corundum'    <enter analysed wt% >    <enter error in wt%>
#                 'Fluorite'    <enter analysed wt% >    <enter error in wt%>
#                 'Zincite'     <enter analysed wt% >    <enter error in wt%>
#
#       and then enter the appropriate data in the results fields.
#
#       You can insert text explaining your procedure as long as you preceed the
#       information with a # character.
#
#  7.   If you have any queries or uncertainties about this template, please feel
#       free to email us on:  qpa.rr@minerals.csiro.au

# -----------------------
;  PARTICIPANT SECTION 1
# -----------------------

Participant_Number           <205>
Participant_Name             <Robert Von Dreele>
Participant_Address          <LANSCE, MS H805, Los Alamos Natl. Lab., Los Alamos, NM, USA 87545>
Participant_Telephone_Number <01-505-667-3630>
Participant_Fax_Number       <01-505-665-2676>
Participant_Email            <vondreele@lanl.gov>

# -----------------------
;  PARTICIPANT SECTION 2
# -----------------------
#  These fields are OPTIONAL - only complete them if you wish

Participant_Highest_Degree   <PhD>
Years_Experience             <30>
Years_Experience_in_QPA      <25>

# ------------------
;  ANALYSIS SECTION
# ------------------

Analysis_Method             <"standard" Rietveld refinement - used fixed atomic coordinates & temp. factors provided by CPD>
Analysis_Software           <GSAS>
Preferred_Orientation       <none>
Microabsorption_Correction  <none>
Other_1                     <neutron tof patterns collected on HIPD at LANSCE; calibration by standard CaF2, BaCuO2 and V/Nb alloy>
Other_2                     <for diffractometer constants, instrumental peak shape coefficients & incident intensity>
Other_3                     <all samples analyzed were 0.5-0.7gm in 6.3mm x 25mm V sample cans, 1hr beam time for each>
Other_4                     <LANSCE spallation source operating at 20Hz, 100muA>
Other_5                     <all refinements included cylindrical absorption coeff., "sig-1" profile coeff. and background fxn. #7 in GSAS>
Other_6                     <lattice parameters fixed at values obtained from analysis of cpd data>
Other_7                     <profile coeff. "rstr" refined to compensate for sample positioning errors in diffractometer>
# -----------------
;  RESULTS SECTION
# -----------------
# (1) If you have not analysed any of the following samples - simply leave the
#     fields unedited - do not delete any fields.
#
# (2) If ANY of the conditions in the preceeding sections have been changed for any
#     sample - then 'cut and paste' the entire section (including the heading) to the
#     area indicated following the results

Sample_ID 1a
'Corundum'    <1.98 wt% >    <0.09 wt%>
'Fluorite'    <93.32 wt% >   <0.03 wt%>
'Zincite'     <4.70 wt% >    <0.13 wt%>
Changes       <combined refinement with data from 1a-1h, no texture>

Sample_ID 1b
'Corundum'    <94.29 wt% >   <0.04 wt%>
'Fluorite'    <3.80 wt% >    <0.06 wt%>
'Zincite'     <1.91 wt% >    <0.22 wt%>
Changes       <combined refinement with data from 1a-1h, no texture>

Sample_ID 1c
'Corundum'    <5.15 wt% >    <0.06 wt%>
'Fluorite'    <0.99 wt% >    <0,04 wt%>
'Zincite'     <93.86 wt% >   <0.04 wt%>
Changes       <combined refinement with data from 1a-1h, no texture>

Sample_ID 1d
'Corundum'    <14.72 wt% >    <0.11 wt%>
'Fluorite'    <50.45 wt% >    <0.17 wt%>
'Zincite'     <34.83 wt% >    <0.17 wt%>
Changes       <combined refinement with data from 1a-1h, no texture>

Sample_ID 1e
'Corundum'    <56.93 wt% >    <0.23 wt%>
'Fluorite'    <27.22 wt% >    <0.19 wt%>
'Zincite'     <15.85 wt% >    <0.17 wt%>
Changes       <combined refinement with data from 1a-1h, no texture>

Sample_ID 1f
'Corundum'    <27.94 wt% >    <0.16 wt%>
'Fluorite'    <16.08 wt% >    <0.11 wt%>
'Zincite'     <55.98 wt% >    <0.19 wt%>
Changes       <combined refinement with data from 1a-1h, no texture>

Sample_ID 1g
'Corundum'    <32.66 wt% >    <0.16 wt%>
'Fluorite'    <31.82 wt% >    <0.16 wt%>
'Zincite'     <35.51 wt% >    <0.17 wt%>
Changes       <combined refinement with data from 1a-1h, no texture>

Sample_ID 1h
'Corundum'    <36.76 wt% >    <0.20 wt%>
'Fluorite'    <32.08 wt% >    <0.18 wt%>
'Zincite'     <31.15 wt% >    <0.20 wt%>
Changes       <combined refinement with data from 1a-1h, no texture>

Sample_ID 2
'Corundum'    <22.00 wt% >    <0.36 wt%>
'Fluorite'    <21.26 wt% >    <0.34 wt%>
'Zincite'     <20.52 wt% >    <0.37 wt%>
'Brucite'     <36.22 wt% >    <0.45 wt%>

Sample_ID 3
'Corundum'    <enter analysed wt% >    <enter error in wt%>
'Fluorite'    <enter analysed wt% >    <enter error in wt%>
'Zincite'     <enter analysed wt% >    <enter error in wt%>
'Amorphous'   <enter analysed wt% >    <enter error in wt%>
Changes       <cut and paste any changed sections to here - otherwise ignore>

Sample_ID 4
'Corundum'    <53.08 wt% >    <0.28 wt%>
'Magnetite'   <19.62 wt% >    <0.18 wt%>
'Zircon'      <27.30 wt% >    <0.25 wt%>
Changes       <cut and paste any changed sections to here - otherwise ignore>

Sample_ID Synthetic Bauxite
'Anatase'     <enter analysed wt% >    <enter error in wt%>
'Boehmite'    <enter analysed wt% >    <enter error in wt%>
'Goethite'    <enter analysed wt% >    <enter error in wt%>
'Hematite'    <enter analysed wt% >    <enter error in wt%>
'Quartz'      <enter analysed wt% >    <enter error in wt%>
'Gibbsite'    <enter analysed wt% >    <enter error in wt%>
'Kaolinite'   <enter analysed wt% >    <enter error in wt%>
Changes       <cut and paste any changed sections to here - otherwise ignore>

Sample_ID Granodiorite
'Quartz'      <enter analysed wt% >    <enter error in wt%>
'Feldspar'    <enter analysed wt% >    <enter error in wt%>
'Albite'      <enter analysed wt% >    <enter error in wt%>
'Biotite'     <enter analysed wt% >    <enter error in wt%>
'Clinochlore' <enter analysed wt% >    <enter error in wt%>
'Hornblende'  <enter analysed wt% >    <enter error in wt%>
'Zircon'      <enter analysed wt% >    <enter error in wt%>
Changes       <cut and paste any changed sections to here - otherwise ignore>

Sample_ID Pharmaceutical_1
'Mannitol'    <enter analysed wt% >    <enter error in wt%>
'Sucrose'     <enter analysed wt% >    <enter error in wt%>
'DL-Valine'   <enter analysed wt% >    <enter error in wt%>
'Nizatidine'  <enter analysed wt% >    <enter error in wt%>
Changes       <cut and paste any changed sections to here - otherwise ignore>

Sample_ID Pharmaceutical_2
'Mannitol'    <enter analysed wt% >    <enter error in wt%>
'Sucrose'     <enter analysed wt% >    <enter error in wt%>
'DL-Valine'   <enter analysed wt% >    <enter error in wt%>
'Nizatidine'  <enter analysed wt% >    <enter error in wt%>
'Starch'      <enter analysed wt% >    <enter error in wt%>
Changes       <cut and paste any changed sections to here - otherwise ignore>


# ------------------
;  COMMENTS SECTION
# ------------------

Extra_Comments_1   <enter any additional comments or information you feel is relevant>
Extra_Comments_2   <enter any additional comments or information you feel is relevant>
Extra_Comments_3   <enter any additional comments or information you feel is relevant>


# E-mail or mail a computer readable form of this document plus
# all relevant analysis files (hopefully using rational file names too):
# IUCr-CPD Quantitative Phase Analysis Round Robin
# c/o Ian Madsen
# CSIRO Division of Minerals
# Box 312, Clayton South,
# Victoria, AUSTRALIA, 3169
# Email:  qpa.rr@minerals.csiro.au
# WWW:    http://www.minerals.csiro.au/public/work/res_equip/tour/begin.htm
# Tel:    +61 3 9545 8785  direct
# Tel:    +61 3 9545 8500  switch
# Fax:    +61 3 9562 8919