X'Pert HighScore
date: 03/22/22
for internal use
only
X'Pert HighScore Report
PANalytical
Fantastic report on
31_XRD_11-13-20
Distribution:
Name
N.N.-999
N.N.-998
N.N.-1
N.N.-2
N.N.-3
T.P.
Function
Masterking Group Manager (MGM)
Product Ontwikkelt Manager (POM)
(AS)
(DS)
(BS)
Supervisor All Coding
Last saved by Tufts, Robert Draft
JR.
 2022 PANalytical B.V.
All Rights Reserved
0.1
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0.5 1.0
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file: Документ1
rev: 1
No. of pages: 1/9
Report
X'Pert HighScore
Table of Contents:
TABLE OF CONTENTS: ...................................................................................................................... 2
ANCHOR SCAN PARAMETERS: (BOOKMARK1).......................................................................... 3
GRAPHICS: (BOOKMARK2) ............................................................................................................... 4
PEAK LIST: (BOOKMARK 3) .............................................................................................................. 5
IDENTIFIED PATTERNS LIST: (BOOKMARK4) ............................................................................ 7
PLOT OF IDENTIFIED PHASES: (BOOKMARK 5) ........................................................................ 7
DOCUMENT HISTORY: (BOOKMARK 6) ........................................................................................ 8
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Report
X'Pert HighScore
Anchor Scan Parameters: (Bookmark1)
Dataset Name
31_XRD_11-13-20
File name
C:\Users\tufts\Downloads\31_XRD_11-13-20.raw
Comment
Scan Mode: Continuous scan mode
Scan Type: Locked Coupled
Goniometer Stage: Phi
Goniometer Control: Diffractometer Controller only
Sample Changer: Unknown Sample Changer
Measurement Flag: Already measured
Sync. Axis: Unknown Sync Axis
Beam Optics: Unknown Beam Optics Flag
Monochromator: Unknown Monochromator
Analyzer: Unknown Analyzer
Measurement Start Date/Time
11/13/2020 3:00:03 PM
Raw Data Origin
BRUKER-binary V4 (.RAW)
Scan Axis
Gonio
Start Position [°2θ]
10.0021
End Position [°2θ]
130.0021
Step Size [°2θ]
0.0200
Scan Step Time [s]
80.0000
Scan Type
Pre-set time
Offset [°2θ]
0.0000
Divergence Slit Type
Fixed
Divergence Slit Size [°]
9999.0000
Specimen Length [mm]
10.00
Receiving Slit Size [mm]
0.1000
Measurement Temperature [°C] 25.00
Anode Material
Cu
Intended Wavelength Type
K-Alpha
K-Alpha1 [Å]
1.54060
K-Alpha2 [Å]
1.54443
K-Beta [Å]
1.39225
K-A2 / K-A1 Ratio
0.50000
Generator Settings
10 mA, 30 kV
Diffractometer Type
Theta/2Theta system
Diffractometer Number
0
Goniometer Radius [mm]
240.00
Dist. Focus-Diverg. Slit [mm]
91.00
Incident Beam Monochromator No
Spinning
No
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20
30
10000
40
50
60
62.9248 [°]
56.6606 [°]
47.6080 [°]
70
80
90
100
110
120
125.2163 [°]
121.5679 [°]
114.9019 [°]
116.3335 [°]
110.4786[°]
[°]
110.8434
107.4561 [°]
102.9753 [°]
104.2145 [°]
98.6812 [°]
95.3652 [°]
92.8462 [°]
89.6623 [°]
81.4415 [°]
[°]
81.7322
76.9930
77.4570[°][°]
72.6432 [°]
68.0128 [°]
69.1470 [°]
64.4824 [°]
66.4361 [°]
59.4817 [°]
60.7098 [°]
50.7995 [°]
38.1834 [°]
31.8529 [°]
34.5016 [°]
36.3321 [°]
31_XRD_11-13-20
04-015-4060
04-006-6516
44.3596 [°]
31.0946 [°]
32.7725 [°]
28.7337 [°]
11.6986 [°]
13.1421 [°]
Report
X'Pert HighScore
Graphics: (Bookmark2)
Counts
30000
20000
0
Position [°2θ] (Copper (Cu))
130
draft only!
Report
X'Pert HighScore
Peak List: (Bookmark 3)
Pos. [°2θ]
11.6986
13.1421
28.7337
31.0946
31.8529
Height
[cts]
144.87
262.55
265.81
469.06
22804.63
FWHM
Left [°2θ]
0.2362
0.1378
0.1378
0.1181
0.1771
d-spacing
[Å]
7.56474
6.73686
3.10699
2.87627
2.80951
Rel. Int.
[%]
0.39
0.71
0.72
1.27
61.71
32.7725
34.5016
467.28
19318.84
0.1378
0.0984
2.73274
2.59964
1.26
52.28
36.3321
36952.85
0.1574
2.47276
100.00
38.1834
12300.44
0.1968
2.35702
33.29
44.3596
3480.29
0.1771
2.04214
9.42
47.6080
7512.81
0.1440
1.90853
20.33
47.7549
50.7995
56.6606
4352.37
136.72
10865.70
0.0720
0.1920
0.1440
1.90773
1.79586
1.62321
11.78
0.37
29.40
56.8322
59.4817
60.7098
62.9248
6221.26
43.95
123.74
9792.61
0.0720
0.5760
0.1440
0.1200
1.62274
1.55278
1.52427
1.47584
16.84
0.12
0.33
26.50
63.1082
64.4824
5502.42
1727.44
0.0720
0.1680
1.47565
1.44390
14.89
4.67
66.4361
1254.29
0.1440
1.40610
3.39
66.6704
68.0128
594.82
7436.01
0.0960
0.1440
1.40521
1.37729
1.61
20.12
68.2117
69.1470
4275.72
3627.99
0.0960
0.1440
1.37717
1.35744
11.57
9.82
69.3587
72.6432
1918.57
664.92
0.1200
0.1200
1.35718
1.30049
5.19
1.80
72.8536
76.9930
373.84
1222.93
0.0960
0.1680
1.30047
1.23749
1.01
3.31
77.4570
1744.50
0.1440
1.23124
4.72
81.4415
828.02
0.1680
1.18076
2.24
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Tip Width
Matched
by
0.2834
0.1653
0.1653
0.1417
0.2125 04-0154060
0.1653
0.1181 04-0154060
0.1889 04-0154060
0.2362 04-0066516
0.2125 04-0066516
0.1728 04-0154060
0.0864
0.2304
0.1728 04-0154060
0.0864
0.6912
0.1728
0.1440 04-0154060
0.0864
0.2016 04-0066516
0.1728 04-0154060
0.1152
0.1728 04-0154060
0.1152
0.1728 04-0154060
0.1440
0.1440 04-0154060
0.1152
0.2016 04-0154060
0.1728 04-0066516
0.2016 04-0154060, 04006-6516
draft only!
Report
X'Pert HighScore
81.7322
682.83
0.1920
1.17730
1.85
89.6623
2142.36
0.1440
1.09259
5.80
89.9676
92.8462
1145.41
684.57
0.1680
0.2160
1.09238
1.06329
3.10
1.85
93.1398
95.3652
368.78
2000.47
0.1440
0.2160
1.06334
1.04175
1.00
5.41
95.6809
98.6812
1170.33
1146.59
0.0960
0.1920
1.04173
1.01543
3.17
3.10
99.0008
102.9753
594.62
711.37
0.1680
0.1680
1.01552
0.98444
1.61
1.93
103.3585
104.2145
360.63
1533.80
0.1680
0.1680
0.98427
0.97610
0.98
4.15
104.5564
107.4561
786.66
164.69
0.1440
0.1920
0.97626
0.95545
2.13
0.45
110.4786
1197.18
0.1920
0.93763
3.24
110.8434
749.56
0.2400
0.93557
2.03
114.9019
363.99
0.3360
0.91383
0.99
116.3335
1602.73
0.2400
0.90667
4.34
116.7638
121.5679
846.13
791.98
0.1920
0.1680
0.90682
0.88258
2.29
2.14
122.1205
125.2163
396.14
123.24
0.2400
0.1920
0.88240
0.86757
1.07
0.33
125.7652
58.14
0.2880
0.86758
0.16
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0.2304 04-0154060, 04006-6516
0.1728 04-0154060
0.2016
0.2592 04-0154060
0.1728
0.2592 04-0154060
0.1152
0.2304 04-0154060
0.2016
0.2016 04-0154060
0.2016
0.2016 04-0154060
0.1728
0.2304 04-0154060
0.2304 04-0154060, 04006-6516
0.2880 04-0154060, 04006-6516
0.4032 04-0066516
0.2880 04-0154060
0.2304
0.2016 04-0154060
0.2880
0.2304 04-0154060
0.3456
draft only!
Report
X'Pert HighScore
Identified Patterns List: (Bookmark4)
Visible
*
*
Ref.Code
Displ.[°2θ]
Score
Compound
Name
77 Zinc Oxide
04-0154060
04-0066516
61 Silver
Scale Fac.
0.000
Chem.
Formula
0.943 Zn O
0.000
0.219 Ag
Plot of Identified Phases: (Bookmark 5)
Peak List
04-015-4060
04-006-6516
20
30
40
50
60
70
80
90
100
110
120
130
140
Position [°2θ] (Copper (Cu))
page: 7/9
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Report
X'Pert HighScore
Document History: (Bookmark 6)
Insert Measurement:
- File name = 31_XRD_11-13-20.raw
- Modification time = "12/21/2020 1:47:02 PM"
- Modification editor = "tufts"
Interpolate Step Size:
- Initial Scan Range = 10.00210 - 130.00600
- Initial Step Size = 0.02021
- Derived Step Size = 0.02000
- Use Derived Step Size = "Yes"
- Modification time = "12/21/2020 1:47:02 PM"
- Modification editor = "PANalytical"
Determine Background:
- Add to net scan = "Nothing"
- User defined intensity = "-5"
- Correction method = "Automatic"
- Bending factor = "5"
- Minimum significance = "0.7"
- Minimum tip width = "0"
- Maximum tip width = "1"
- Peak base width = "2"
- Use smoothed input data = "Yes"
- Granularity = "20"
- Modification time = "2/22/2001 10:17:43 AM"
- Modification editor = "PANalytical"
Search Peaks:
- Minimum significance = "2"
- Minimum tip width = "0.01"
- Maximum tip width = "1"
- Peak base width = "2"
- Method = "Minimum 2nd derivative"
- Modification time = "2/20/2001 11:55:18 AM"
- Modification editor = "PANalytical"
Search & Match:
- Allow pattern shift = "No"
- Auto residue = "Yes"
- Data source = "Profile and peak list"
- Demote unmatched strong = "Yes"
- Multi phase = "Yes"
- Restriction set = "Common"
- Restriction = "Restriction set"
- Subset name = ""
- Match intensity = "Yes"
- Two theta shift = "0"
- Identify = "Yes"
- Max. no. of accepted patterns = "5"
- Minimum score = "27"
- Min. new lines / total lines = "40"
- Search depth = "6"
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X'Pert HighScore
- Minimum new lines = "3"
- Minimum scale factor = "0.06"
- Intensity threshold = "0"
- Use line clustering = "Yes"
- Line cluster range = "1.5"
- Search sensitivity = "1.8"
- Use adaptive smoothing = "Yes"
- Smoothing range = "1.5"
- Threshold factor = "3"
- Match Threshold = "0"
- N * Esds = "-1"
- Raw Weight = "-1"
- Peak Shape = "-1"
- Accepted Shape = "-1"
- Peak Power = "-1"
- New Peak Power = "-1"
- Intensity Power = "-1"
- N Peaks Power = "-1"
- Modification time = "2/16/2001 3:30:09 PM"
- Modification editor = "PANalytical"
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