source: Exercises/unused/TOF_QPRR/205c-tof.res @ 1749

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1#  This template is to be used for the reporting of the results for
2#   the IUCr CPD round robin on Quantitative Phase Analysis for :-
3#
4#          *****     Data supplied by the CPD     *****
5#
6#
7#   INSTRUCTIONS for use of this template
8#
9#  1.   Overwrite ONLY the fields in the <brackets> - remove existing text
10#       between the <brackets>
11#
12#  2.   DO NOT change the order of the lines or any of the other fields except
13#       where indicated - these will be used to collate information during
14#       data analysis. 
15#
16#  3.   All participant names, birthmarks and institutions are
17#       considered confidential, only participant numbers are published.
18#
19#  4.   PLEASE - submit all other relevant files such as final updated Rietveld
20#       input file and the final output file.
21#
22#  5.   FILE NAMES - to make our job easier, use your participant number
23#       at the start of your file name(s) with a C indicating CPD data.
24#       Your results file MUST have the .RES extension. Examples are:-
25#
26#         123c.res -    Results file from participant 123 (i.e. this file modified)
27#         123c-1a.out - Final Rietveld output file from participant 123 for sample 1a
28#         123c-2.inp  - Final input file from participant 123 for sample 2
29#         123c.txt -    Any other text information from participant 123
30#                       to be communicated to the organisers.
31#
32#  6.   If performing multiple analyses (i.e. different analytical procedures),
33#       duplicate the sample information in the RESULTS SECTION. For example,
34#       for duplicate measurements of sample 1a, simply 'cut and paste' the
35#       headings to form:-
36#
37#                 Sample_ID 1a-r1
38#                 'Corundum'    <enter analysed wt% >    <enter error in wt%>
39#                 'Fluorite'    <enter analysed wt% >    <enter error in wt%>
40#                 'Zincite'     <enter analysed wt% >    <enter error in wt%>
41#
42#                 Sample_ID 1a-r2
43#                 'Corundum'    <enter analysed wt% >    <enter error in wt%>
44#                 'Fluorite'    <enter analysed wt% >    <enter error in wt%>
45#                 'Zincite'     <enter analysed wt% >    <enter error in wt%>
46#
47#       and then enter the appropriate data in the results fields.
48#
49#       You can insert text explaining your procedure as long as you preceed the
50#       information with a # character.
51#
52#  7.   If you have any queries or uncertainties about this template, please feel
53#       free to email us on:  qpa.rr@minerals.csiro.au
54
55# -----------------------
56;  PARTICIPANT SECTION 1
57# -----------------------
58
59Participant_Number           <205>
60Participant_Name             <Robert Von Dreele>
61Participant_Address          <LANSCE, MS H805, Los Alamos Natl. Lab., Los Alamos, NM, USA 87545>
62Participant_Telephone_Number <01-505-667-3630>
63Participant_Fax_Number       <01-505-665-2676>
64Participant_Email            <vondreele@lanl.gov>
65
66# -----------------------
67;  PARTICIPANT SECTION 2
68# -----------------------
69#  These fields are OPTIONAL - only complete them if you wish
70
71Participant_Highest_Degree   <PhD>
72Years_Experience             <30>
73Years_Experience_in_QPA      <25>
74
75# ------------------
76;  ANALYSIS SECTION
77# ------------------
78
79Analysis_Method             <"standard" Rietveld refinement - used fixed atomic coordinates & temp. factors provided by CPD>
80Analysis_Software           <GSAS>
81Preferred_Orientation       <none>
82Microabsorption_Correction  <none>
83Other_1                     <neutron tof patterns collected on HIPD at LANSCE; calibration by standard CaF2, BaCuO2 and V/Nb alloy>
84Other_2                     <for diffractometer constants, instrumental peak shape coefficients & incident intensity>
85Other_3                     <all samples analyzed were 0.5-0.7gm in 6.3mm x 25mm V sample cans, 1hr beam time for each>
86Other_4                     <LANSCE spallation source operating at 20Hz, 100muA>
87Other_5                     <all refinements included cylindrical absorption coeff., "sig-1" profile coeff. and background fxn. #7 in GSAS>
88Other_6                     <lattice parameters fixed at values obtained from analysis of cpd data>
89Other_7                     <profile coeff. "rstr" refined to compensate for sample positioning errors in diffractometer>
90# -----------------
91;  RESULTS SECTION
92# -----------------
93# (1) If you have not analysed any of the following samples - simply leave the
94#     fields unedited - do not delete any fields.
95#
96# (2) If ANY of the conditions in the preceeding sections have been changed for any
97#     sample - then 'cut and paste' the entire section (including the heading) to the
98#     area indicated following the results
99
100Sample_ID 1a
101'Corundum'    <1.98 wt% >    <0.09 wt%>
102'Fluorite'    <93.32 wt% >   <0.03 wt%>
103'Zincite'     <4.70 wt% >    <0.13 wt%>
104Changes       <combined refinement with data from 1a-1h, no texture>
105
106Sample_ID 1b
107'Corundum'    <94.29 wt% >   <0.04 wt%>
108'Fluorite'    <3.80 wt% >    <0.06 wt%>
109'Zincite'     <1.91 wt% >    <0.22 wt%>
110Changes       <combined refinement with data from 1a-1h, no texture>
111
112Sample_ID 1c
113'Corundum'    <5.15 wt% >    <0.06 wt%>
114'Fluorite'    <0.99 wt% >    <0,04 wt%>
115'Zincite'     <93.86 wt% >   <0.04 wt%>
116Changes       <combined refinement with data from 1a-1h, no texture>
117
118Sample_ID 1d
119'Corundum'    <14.72 wt% >    <0.11 wt%>
120'Fluorite'    <50.45 wt% >    <0.17 wt%>
121'Zincite'     <34.83 wt% >    <0.17 wt%>
122Changes       <combined refinement with data from 1a-1h, no texture>
123
124Sample_ID 1e
125'Corundum'    <56.93 wt% >    <0.23 wt%>
126'Fluorite'    <27.22 wt% >    <0.19 wt%>
127'Zincite'     <15.85 wt% >    <0.17 wt%>
128Changes       <combined refinement with data from 1a-1h, no texture>
129
130Sample_ID 1f
131'Corundum'    <27.94 wt% >    <0.16 wt%>
132'Fluorite'    <16.08 wt% >    <0.11 wt%>
133'Zincite'     <55.98 wt% >    <0.19 wt%>
134Changes       <combined refinement with data from 1a-1h, no texture>
135
136Sample_ID 1g
137'Corundum'    <32.66 wt% >    <0.16 wt%>
138'Fluorite'    <31.82 wt% >    <0.16 wt%>
139'Zincite'     <35.51 wt% >    <0.17 wt%>
140Changes       <combined refinement with data from 1a-1h, no texture>
141
142Sample_ID 1h
143'Corundum'    <36.76 wt% >    <0.20 wt%>
144'Fluorite'    <32.08 wt% >    <0.18 wt%>
145'Zincite'     <31.15 wt% >    <0.20 wt%>
146Changes       <combined refinement with data from 1a-1h, no texture>
147
148Sample_ID 2
149'Corundum'    <22.00 wt% >    <0.36 wt%>
150'Fluorite'    <21.26 wt% >    <0.34 wt%>
151'Zincite'     <20.52 wt% >    <0.37 wt%>
152'Brucite'     <36.22 wt% >    <0.45 wt%>
153
154Sample_ID 3
155'Corundum'    <enter analysed wt% >    <enter error in wt%>
156'Fluorite'    <enter analysed wt% >    <enter error in wt%>
157'Zincite'     <enter analysed wt% >    <enter error in wt%>
158'Amorphous'   <enter analysed wt% >    <enter error in wt%>
159Changes       <cut and paste any changed sections to here - otherwise ignore>
160
161Sample_ID 4
162'Corundum'    <53.08 wt% >    <0.28 wt%>
163'Magnetite'   <19.62 wt% >    <0.18 wt%>
164'Zircon'      <27.30 wt% >    <0.25 wt%>
165Changes       <cut and paste any changed sections to here - otherwise ignore>
166
167Sample_ID Synthetic Bauxite
168'Anatase'     <enter analysed wt% >    <enter error in wt%>
169'Boehmite'    <enter analysed wt% >    <enter error in wt%>
170'Goethite'    <enter analysed wt% >    <enter error in wt%>
171'Hematite'    <enter analysed wt% >    <enter error in wt%>
172'Quartz'      <enter analysed wt% >    <enter error in wt%>
173'Gibbsite'    <enter analysed wt% >    <enter error in wt%>
174'Kaolinite'   <enter analysed wt% >    <enter error in wt%>
175Changes       <cut and paste any changed sections to here - otherwise ignore>
176
177Sample_ID Granodiorite
178'Quartz'      <enter analysed wt% >    <enter error in wt%>
179'Feldspar'    <enter analysed wt% >    <enter error in wt%>
180'Albite'      <enter analysed wt% >    <enter error in wt%>
181'Biotite'     <enter analysed wt% >    <enter error in wt%>
182'Clinochlore' <enter analysed wt% >    <enter error in wt%>
183'Hornblende'  <enter analysed wt% >    <enter error in wt%>
184'Zircon'      <enter analysed wt% >    <enter error in wt%>
185Changes       <cut and paste any changed sections to here - otherwise ignore>
186
187Sample_ID Pharmaceutical_1
188'Mannitol'    <enter analysed wt% >    <enter error in wt%>
189'Sucrose'     <enter analysed wt% >    <enter error in wt%>
190'DL-Valine'   <enter analysed wt% >    <enter error in wt%>
191'Nizatidine'  <enter analysed wt% >    <enter error in wt%>
192Changes       <cut and paste any changed sections to here - otherwise ignore>
193
194Sample_ID Pharmaceutical_2
195'Mannitol'    <enter analysed wt% >    <enter error in wt%>
196'Sucrose'     <enter analysed wt% >    <enter error in wt%>
197'DL-Valine'   <enter analysed wt% >    <enter error in wt%>
198'Nizatidine'  <enter analysed wt% >    <enter error in wt%>
199'Starch'      <enter analysed wt% >    <enter error in wt%>
200Changes       <cut and paste any changed sections to here - otherwise ignore>
201
202
203# ------------------
204;  COMMENTS SECTION
205# ------------------
206
207Extra_Comments_1   <enter any additional comments or information you feel is relevant>
208Extra_Comments_2   <enter any additional comments or information you feel is relevant>
209Extra_Comments_3   <enter any additional comments or information you feel is relevant>
210
211
212# E-mail or mail a computer readable form of this document plus
213# all relevant analysis files (hopefully using rational file names too):
214# IUCr-CPD Quantitative Phase Analysis Round Robin
215# c/o Ian Madsen
216# CSIRO Division of Minerals
217# Box 312, Clayton South,
218# Victoria, AUSTRALIA, 3169
219# Email:  qpa.rr@minerals.csiro.au
220# WWW:    http://www.minerals.csiro.au/public/work/res_equip/tour/begin.htm
221# Tel:    +61 3 9545 8785  direct
222# Tel:    +61 3 9545 8500  switch
223# Fax:    +61 3 9562 8919
224
225
226
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