Analysis Results

General Information

Analysis date 2023/04/13 13:41:34

Sample name ZnS yellow big spot Measurement date 2023/04/13 10:37:24
File name half translucent.raw Operator Administrator 1
Comment VC

Measurement profile

8.0e+004

6.0e+004
Intensity (counts)

4.0e+004

2.0e+004

0.0e+000
20 40 60 80
2-theta (deg)

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Measurement conditions

X-Ray 40 kV , 30 mA Scan speed / Duration time 2.0000 deg./min.

Goniometer Step width 0.0200 deg.
Attachment - Scan axis 2Theta/Theta
Filter K-beta filter Scan range 20.0000 - 90.0000 deg.
CBO selection slit - Incident slit 1/2deg.
Diffrected beam mono. Length limiting slit -
Detector D/teX Ultra Receiving slit #1 8mm
Scan mode CONTINUOUS Receiving slit #2 13mm

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Qualitative analysis results

Phase name Formula Figure of merit Phase reg. detail DB card number

Phase name Formula Space group Phase reg. detail DB card number

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 8.0e+004

6.0e+004
Intensity (counts)

4.0e+004

2.0e+004

0.0e+000
20 40 60 80
2-theta (deg)

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Peak list

No. 2-theta(deg) d(ang.) FWHM(deg) Int. I(counts deg) Size(ang.) Phase name Chemical formula
1 25.724(13) 3.4603(17) 0.14(2) 115(4) 566(97) Unknown Unknown
2 26.916(8) 3.3097(10) 0.169(10) 330(13) 485(29) Unknown Unknown
3 27.59(2) 3.230(3) 0.17(6) 120(13) 489(175) Unknown Unknown
4 28.544(3) 3.1246(3) 0.139(4) 11825(82) 591(17) Unknown Unknown
5 33.082(4) 2.7056(3) 0.166(7) 1140(9) 498(20) Unknown Unknown
6 42.699(11) 2.1158(5) 0.141(17) 81(4) 604(71) Unknown Unknown
7 47.508(2) 1.91226(8) 0.120(2) 8424(52) 726(15) Unknown Unknown
8 50.535(18) 1.8046(6) 0.132(19) 28(4) 663(97) Unknown Unknown
9 55.64(2) 1.6504(5) 0.54(6) 191(15) 165(17) Unknown Unknown
10 56.3717(10) 1.63080(3) 0.1198(10) 5486(19) 753(6) Unknown Unknown
11 59.111(3) 1.56159(7) 0.135(3) 279(4) 677(16) Unknown Unknown
12 69.462(4) 1.35202(6) 0.180(4) 1052(8) 538(13) Unknown Unknown
13 76.15(2) 1.2490(3) 0.44(6) 135(16) 230(31) Unknown Unknown
14 76.758(2) 1.24066(3) 0.156(2) 1669(13) 649(9) Unknown Unknown
15 77.87(6) 1.2257(8) 1.4(2) 155(20) 74(12) Unknown Unknown
16 79.126(4) 1.20937(5) 0.140(4) 269(4) 737(21) Unknown Unknown
17 84.063(16) 1.15047(18) 0.08(6) 6(2) 1390(1172) Unknown Unknown
18 88.5075(19) 1.103812(19) 0.155(3) 2011(10) 714(12) Unknown Unknown

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Parameters used for WPPF
Profile parameters

Common parameter Background Data half translucent

Function name B-spline
param0 1910.485684149246
param1 1677.2986074192395
param2 1644.7725452628397
param3 1107.7512979524029
param4 2526.8341983518976
param5 1141.506787976097
param6 1150.5397327222158
param7 780.74513377208814
param8 1566.7955178151074
param9 1286.6708761363338
param10 935.89415000382326
param11 994.72518840199757
param12 803.37363057878235
param13 784.01581629484554
param14 939.7132293573718
param15 706.36469495215147
param16 1053.8708395602257
node0 20
node1 23.059999999999999
node2 26.120000000000001
node3 29.18
node4 32.240000000000002
node5 36.380000000000003
node6 42.840000000000003
node7 49.299999999999997
node8 52.539999999999999
node9 55.780000000000001
node10 59.020000000000003
node11 62.32
node12 66.700000000000003

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 node13 72.5
node14 90
Common parameter Peak shift
Function name Shift axial displacement
param0 -0.0029744152949942012
param1 0
param2 0

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Structure parameters

Data set name Phase Name Element x y z Occupancy Temperature factor

Data set name Rwp Rp Re S Chi^2 Maximum shift/e.s.d.

half translucent 0 0 0 0 0 0

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Lattice parameters
Angular correction

Analysis results

Data set name a(A) b(A) c(A) alpha(deg) beta(deg) gamma(deg)

Phase name a(A) b(A) c(A) alpha(deg) beta(deg) gamma(deg) V(A^3)

LCGraph.emf

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Crystallinity

Data set name Crystallinity(%)

CrystallinityGraph.emf

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Crystallite size and lattice strain
Williamson-Hall method

Data set name Crystallite size(A) Strain(%)

Phase name Crystallite size(A) Distribution RSD Strain(%) Distribution type

CSSGraph.emf

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Quantitative analysis results (RIR)

RIRGraph.emf

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Quantitative analysis results (WPPF)

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Quantitative analysis results (standard addition method)
Calibration data
QuantityCalibration.emf

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Quantitative analysis results (External Standard method)
Calibration data
QuantityCalibration.emf

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Quantitative analysis results (internal standard method)
Calibration Data
QuantityCalibration.emf

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Stress
Stress constants

Analytical conditions

Analysis results

StressGraph.emf

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Cluster analysis results
Dendrogram

ClusterDendrogram.emf

Measurement profiles

8.0e+004

6.0e+004
Intensity (counts)

4.0e+004

2.0e+004

0.0e+000
20 40 60 80
2-theta (deg)

Cluster

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Sample well

ClusterSamplePlate.emf

PCA view

ClusterPCA3DGraph.emf
Eigenvalue graph

ClusterPCAGraph.emf

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Crystallite size distribution analysis results
Crystallite size distribution

Crystallite size distribution graph

1.0

0.8
Density function

0.6

0.4

0.2

0.0
0.0 0.2 0.4 0.6 0.8 1.0
Crystallite size(ang.)

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Crystal structure analysis results
Indexing

Phase name Formula Figure of merit Phase reg. detail DB card number

Quantitative analysis results

Lattice information

Phase name a(A) b(A) c(A) alpha(deg) beta(deg) gamma(deg) V(A^3)

Phase name Space group Z Z' Calc. density(g/cm^3)

Structure determination

Refinement

Measurement range: 20.0000-90.0000deg Refinement range: 20.0000-90.0000deg (1.09 A)

Number of refined parameters: 0
Phase name Atomic coords # of indep. reflns

Rwp = - S=-

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Crystal structure

CrystalGraph.emf

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