X'Pert HighScore

X'Pert HighScore Report

PANalytical

date: 02/22/16
for internal use
only

Fantastic report on
group 4_1

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 Gadhiraju

Draft
Venkat, Aaditya
2016 PANalytical B.V.
All Rights Reserved

file: group 4_1

0.1

0.5 1.0

rev: 1
No. of pages: 1/10

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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) ............................................................................ 6
PLOT OF IDENTIFIED PHASES: (BOOKMARK 5) ........................................................................ 6
DOCUMENT HISTORY: (BOOKMARK 6) ........................................................................................ 7

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Anchor Scan Parameters: (Bookmark1)

Dataset Name
File name
Comment

group 4_1
C:\Users\aaditya\Desktop\group 4_1.xrdml
z=6.998
Configuration=USF DY1505, Owner=User-1, Creation

date=2/7/2003 10:55:10 AM
Goniometer=PW3050/65 (Theta/2Theta); Minimum step
size 2Theta:0.0001; Minimum step size Omega:0.0001
Sample stage=MRD Cradle; Minimum step size Phi:0.01;
Minimum step size Chi:0.01; Minimum step size X:0.01; Minimum step size Y:0.01;
Minimum step size Z:0.001
Diffractometer system=XPERT-PRO
Measurement program=C:\PANalytical\Data
Collector\Programs\group 4.xrdmp, Identifier={58CE677A-A58A-4D78-BBA9FE1BF742A848}
PHD Lower Level = 5.63 (keV), PHD Upper Level = 12.88
(keV)
Measurement Date / Time
2/22/2016 6:08:10 PM
Operator
tufts
Raw Data Origin
XRD measurement (*.XRDML)
Scan Axis
Gonio
Start Position [2Th.]
35.0100
End Position [2Th.]
124.9900
Step Size [2Th.]
0.0200
Scan Step Time [s]
0.5000
Scan Type
Continuous
Offset [2Th.]
0.0000
Divergence Slit Type
Fixed
Divergence Slit Size []
0.4354
Specimen Length [mm]
10.00
Receiving Slit Size [mm]
1.0000
Measurement Temperature [C] 25.00
Anode Material
Cu
K-Alpha1 []
1.54060
Generator Settings
40 mA, 45 kV
Diffractometer Type
0000000013851891
Diffractometer Number
0
Goniometer Radius [mm]
320.00
Dist. Focus-Diverg. Slit [mm]
100.00
Incident Beam Monochromator No
Spinning
No

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6000

group 4_1

100.6226 []

73.1678 []

Counts

58.2322 []

Graphics: (Bookmark2)

114.8957 []

40.2361 []

4000

86.9932 []

2000

0
40

50

60

70

80

90

100

110

120

Position [2Theta] (Copper (Cu))

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Peak List: (Bookmark 3)

Pos.
[2Th.]

Height
[cts]

40.2361

2093.98

FWHM
Left
[2Th.]
0.1440

58.2322

6021.39

73.1678

d-spacing
[]

Rel. Int.
[%]

Tip Width

Matched
by

2.23953

34.78

0.1728

0.1680

1.58308

100.00

0.2016

4244.80

0.1680

1.29245

70.50

0.2016

86.9932

277.67

0.1680

1.11911

4.61

0.2016

100.6226

3085.78

0.1680

1.00101

51.25

0.2016

114.8957

1125.46

0.1920

0.91387

18.69

0.2304

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00-0040806
00-0040806
00-0040806
00-0040806
00-0040806
00-0040806

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Identified Patterns List: (Bookmark4)

Visible

Ref. Code

Score

00-0040806

Compound
Name
61 Tungsten

Displaceme
nt [2Th.]
-0.023

Scale Factor

Chemical
Formula
0.653 W

Plot of Identified Phases: (Bookmark 5)

Peak List

00-004-0806

40

50

60

70

80

90

100

110

120

130

140

150

Position [2Theta] (Copper (Cu))

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Document History: (Bookmark 6)

Insert Measurement:
- File name = "group 4_1.xrdml"
- Modification time = "2/22/2016 7:23:35 PM"
- Modification editor = "aaditya"
Default properties:
- Measurement step axis = "None"
- Internal wavelengths used from anode material: Copper (Cu)
- Original K-Alpha1 wavelength = "1.54060"
- Used K-Alpha1 wavelength = "1.54060"
- Original K-Alpha2 wavelength = "1.54443"
- Used K-Alpha2 wavelength = "1.54443"
- Original K-Beta wavelength = "1.39225"
- Used K-Beta wavelength = "1.39225"
- Irradiated length = "10.00000"
- Spinner used = "No"
- Linear detector mode = "None"
- Length linear detector = "2"
- Step axis value = "0.00000"
- Offset = "0.00000"
- Sample length = "10.00000"
- Modification time = "2/22/2016 7:23:35 PM"
- Modification editor = "aaditya"
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 = "2/22/2016 6:56:28 PM"
- Modification editor = "aaditya"
Search Peaks:
- Minimum significance = "2"
- Minimum tip width = "0.001"
- Maximum tip width = "1"
- Peak base width = "2"
- Method = "Minimum 2nd derivative"
- Modification time = "2/22/2016 7:00:09 PM"
- Modification editor = "aaditya"
Strip K-Alpha2:
- Method = "Rachinger"
- Intensity ratio = "0.5"
- Delta wavelength ratio = "0"
- Modification time = "2/22/2016 7:23:48 PM"

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- Modification editor = "PANalytical"

Search & Match:
- Allow pattern shift = "Yes"
- Auto residue = "No"
- Data source = "Profile and peak list"
- Demote unmatched strong = "Yes"
- Multi phase = "No"
- Restriction set = "Default"
- Restriction = "None"
- Subset name = ""
- Match intensity = "Yes"
- Two theta shift = "0"
- Identify = "No"
- Max. no. of accepted patterns = "5"
- Minimum score = "50"
- Min. new lines / total lines = "60"
- Search depth = "10"
- Minimum new lines = "5"
- Minimum scale factor = "0.1"
- 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"
- Modification time = "2/22/2016 6:36:06 PM"
- Modification editor = "aaditya"
Search Peaks:
- Minimum significance = "2"
- Minimum tip width = "0.01"
- Maximum tip width = "1"
- Peak base width = "2"
- Method = "Minimum 2nd derivative"
- Modification time = "2/22/2016 7:26:03 PM"
- Modification editor = "aaditya"

Name and formula

Reference code:

00-004-0806

Compound name:

Tungsten

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Common name:
PDF index name:

wolfram
Tungsten

Empirical formula:
Chemical formula:

W
W

Crystallographic parameters
Crystal system:
Space group:
Space group number:

Cubic
Im3m
229

a ():
b ():
c ():
Alpha ():
Beta ():
Gamma ():

3.1648
3.1648
3.1648
90.0000
90.0000
90.0000

Calculated density (g/cm^3):

Volume of cell (10^6 pm^3):
Z:

19.26
31.70
2.00

RIR:

18.00

Subfiles and quality

Subfiles:

Quality:

Alloy, metal or intermetalic

Common Phase
Educational pattern
Forensic
Inorganic
NBS pattern
Star (S)

Comments
Color:
Creation Date:
Modification Date:
Color:
Sample Source or Locality:
Sample Preparation:

Gray metallic
1/1/1970
1/1/1970
Gray metallic
Sample prepared at Westinghouse Electric Corp
Analysis of sample shows SiO2 0.04%, K 0.05%, Mo, Al2O3
and 0.01% each
Temperature of Data Collection: Pattern taken at 26 C. Merck Index, 8th Ed., p. 1087.

References
Primary reference:

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Swanson, Tatge., Natl. Bur. Stand. (U.S.), Circ. 539, I, 28,

(1953)

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Peak list
No.
1
2
3
4
5
6
7
8

h
1
2
2
2
3
2
3
4

k
1
0
1
2
1
2
2
0

l
0
0
1
0
0
2
1
0

d [A]
2.23800
1.58200
1.29200
1.11880
1.00080
0.91370
0.84590
0.79120

2Theta[deg] I [%]
40.265
100.0
58.276
15.0
73.198
23.0
87.024
8.0
100.651
11.0
114.928
4.0
131.184
18.0
153.603
2.0

Stick Pattern

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