User: User Date: 2023-05-04 Time: 오후 2:56:15

This is the simple example template containing only headers for each report item and the
bookmarks. The invisible bookmarks are indicated by text between brackets.
Modify it according to your own needs and standards.

Measurement Conditions: (Bookmark 1)

Dataset Name 230503 Ca_P =1.3(04.26)

File name C:\Users\User\Desktop\230504 C-COP\230503 Ca_P
=1.3(04.26).xrdml
Sample Identification Ca/P =1.3(04.26)
Measurement Start Date/Time 2023-05-03 오후 3:55:43
Operator Instrument
Raw Data Origin XRD measurement (*.XRDML)
Scan Axis Gonio
Start Position [°2θ] 3.0109
End Position [°2θ] 59.9909
Step Size [°2θ] 0.0220
Scan Step Time [s] 52.0200
Scan Type Continuous
PSD Mode Scanning
PSD Length [°2θ] 5.54
Offset [°2θ] 0.0000
Divergence Slit Type Fixed
Divergence Slit Size [°] 0.1146
Specimen Length [mm] 10.00
Measurement Temperature [°C] 25.00
Anode Material Cu
Intended Wavelength Type K-α1
K-α1 [Å] 1.54060
K-α2 [Å] 1.54443
K-β1 [Å] 1.39225
K-β2 [Å] 1.38113
K-β3 [Å] 1.39261
K-A2 / K-A1 Ratio 0.50000
K-Alpha2 Line Shift 0.00000
K Absorption Edge 1.37868
Generator Settings 8 mA, 40 kV
Diffractometer Type 1107989
Diffractometer Number 0
Goniometer Radius [mm] 145.00
Dist. Focus-Diverg. Slit [mm] 95.00
Incident Beam Monochromator No
Spinning Yes

1 of 10
User: User Date: 2023-05-04 Time: 오후 2:56:15

Main Graphics, Analyze View: (Bookmark 2)

Counts
230503 Ca_P =1.3(04.26)
OCP 30.2 %
HA 8.2 %
alpha-TCP 50.9 %
2000
DCPD (ICDD# 00-009-0077) de Wolff, Technisch Physische Dienst 10.7 %
4.7790 [°]

[°]

34.3082 [°]
30.8047[°]
30.7079 [°] 30.8032
[°]
12.1973 [°]

34.5687 [°]
22.8602

24.2039 [°]
1000

22.9870 [°]

0
10 20 30 40 50
Position [°2θ] (Copper (Cu))

Peak List: (Bookmark 3)

Pos. [°2θ] Height [cts] FWHM Left [°2θ] d-spacing [Å] Rel. Int. [%]
4.7790 778.72 0.4412 18.47568 100.00
6.5719 2.20 0.0957 13.43875 0.28
7.2894 76.65 0.0957 12.11749 9.84
7.9852 2.51 0.0957 11.06305 0.32
7.9856 0.83 0.0957 11.06257 0.11
9.1918 6.88 0.0957 9.61340 0.88
9.4683 3.85 0.4412 9.33325 0.49
9.5368 67.33 0.4412 9.26635 8.65
9.7797 0.30 0.0957 9.03675 0.04
9.7800 0.20 0.0957 9.03649 0.03
9.9072 62.75 0.4412 8.92079 8.06
10.7871 6.58 0.0957 8.19499 0.85
10.9315 34.16 0.1731 8.08708 4.39
11.3231 0.01 0.4412 7.80823 0.00
11.7320 223.46 0.2158 7.53701 28.70
12.1619 0.12 0.0957 7.27155 0.02
12.1973 413.08 0.0957 7.25050 53.05
12.1975 85.62 0.0957 7.25037 10.99
12.2403 0.03 0.4412 7.22513 0.00
13.0003 0.52 0.4412 6.80441 0.07
13.0197 49.60 0.0957 6.79433 6.37
13.0669 0.19 0.0957 6.76986 0.02
13.4096 0.34 0.0957 6.59765 0.04
13.5710 9.03 0.4412 6.51951 1.16
14.0844 1.42 0.4412 6.28300 0.18
14.1242 192.48 0.0957 6.26538 24.72

2 of 10
User: User Date: 2023-05-04 Time: 오후 2:56:15

14.1733 0.01 0.4412 6.24381 0.00

14.4925 4.64 0.4412 6.10697 0.60
14.4963 0.65 0.0957 6.10540 0.08
14.4969 7.46 0.0957 6.10516 0.96
14.5088 21.17 0.0957 6.10015 2.72
14.5096 0.00 0.0957 6.09983 0.00
14.8714 4.21 0.0957 5.95223 0.54
14.8721 0.92 0.0957 5.95194 0.12
14.9422 9.96 0.0957 5.92418 1.28
14.9424 3.78 0.0957 5.92411 0.49
15.2663 153.28 0.0957 5.79912 19.68
15.5599 6.16 0.0957 5.69037 0.79
15.5604 1.94 0.0957 5.69017 0.25
15.6184 7.38 0.4412 5.66921 0.95
15.6223 0.01 0.0957 5.66778 0.00
15.6891 0.61 0.4412 5.64379 0.08
15.9104 10.16 0.0957 5.56580 1.30
15.9111 0.15 0.0957 5.56556 0.02
15.9739 7.55 0.4412 5.54380 0.97
16.2411 21.53 0.4412 5.45321 2.76
16.2446 0.13 0.4412 5.45203 0.02
16.4169 2.63 0.4412 5.39519 0.34
16.5045 1.65 0.4412 5.36678 0.21
16.8962 1.36 0.4412 5.24322 0.17
16.9379 8.81 0.1731 5.23040 1.13
16.9462 0.28 0.2158 5.22785 0.04
17.1380 8.00 0.0957 5.16977 1.03
17.1895 2.48 0.0957 5.15442 0.32
17.1900 190.71 0.0957 5.15427 24.49
17.4470 1.62 0.0957 5.07890 0.21
17.5080 0.01 0.0957 5.06135 0.00
17.5086 5.65 0.0957 5.06117 0.73
17.5437 0.46 0.0957 5.05114 0.06
17.5600 8.87 0.4412 5.04647 1.14
17.5699 4.82 0.4412 5.04367 0.62
17.8701 1.09 0.0957 4.95959 0.14
17.8703 1.52 0.0957 4.95955 0.20
18.0799 2.11 0.0957 4.90252 0.27
18.0916 3.86 0.2158 4.89936 0.50
18.1275 8.01 0.4412 4.88974 1.03
18.3436 1.97 0.0957 4.83264 0.25
18.3529 4.17 0.4412 4.83021 0.54
18.3734 0.65 0.0957 4.82485 0.08
18.3739 20.14 0.0957 4.82473 2.59
18.4447 1.92 0.0957 4.80636 0.25
18.6708 0.93 0.4412 4.74868 0.12
18.8321 0.17 0.4412 4.70837 0.02
18.9021 0.67 0.4412 4.69109 0.09
18.9187 5.55 0.1731 4.68702 0.71
18.9902 0.03 0.4412 4.66951 0.00
19.0405 0.20 0.4412 4.65729 0.03

3 of 10
User: User Date: 2023-05-04 Time: 오후 2:56:15

19.2280 0.14 0.0957 4.61230 0.02

19.2284 0.04 0.0957 4.61220 0.00
19.2455 0.71 0.0957 4.60815 0.09
19.2459 3.91 0.0957 4.60805 0.50
19.5314 0.14 0.0957 4.54133 0.02
19.5320 0.86 0.0957 4.54120 0.11
19.6038 32.06 0.0957 4.52472 4.12
19.6892 2.30 0.4412 4.50529 0.30
19.7500 9.60 0.0957 4.49155 1.23
19.7862 2.80 0.4412 4.48343 0.36
19.7891 1.23 0.4412 4.48277 0.16
19.9471 7.36 0.4412 4.44763 0.95
19.9616 0.33 0.4412 4.44443 0.04
20.1045 2.09 0.0957 4.41316 0.27
20.3799 0.68 0.4412 4.35414 0.09
20.5760 6.42 0.0957 4.31308 0.82
20.5764 11.97 0.0957 4.31299 1.54
20.8035 11.91 0.4412 4.26643 1.53
20.9115 7.75 0.0957 4.24463 0.99
20.9116 12.34 0.0957 4.24461 1.58
21.0276 3.28 0.0957 4.22145 0.42
21.0287 3.72 0.0957 4.22124 0.48
21.0342 209.16 0.2158 4.22014 26.86
21.4072 40.08 0.0957 4.14746 5.15
21.5705 2.93 0.0957 4.11642 0.38
21.6117 0.12 0.0957 4.10867 0.02
21.6121 7.18 0.0957 4.10859 0.92
21.7635 2.33 0.4412 4.08034 0.30
21.7818 0.06 0.0957 4.07697 0.01
21.7828 1.86 0.0957 4.07678 0.24
21.7875 12.35 0.0957 4.07591 1.59
21.8631 15.26 0.1731 4.06198 1.96
21.8678 0.68 0.0957 4.06112 0.09
21.8683 4.93 0.0957 4.06102 0.63
21.9330 0.53 0.4412 4.04920 0.07
22.0322 1.44 0.0957 4.03120 0.18
22.0333 0.63 0.0957 4.03099 0.08
22.2353 365.96 0.0957 3.99482 46.99
22.3318 0.35 0.0957 3.97778 0.04
22.3322 3.29 0.0957 3.97771 0.42
22.3340 0.41 0.4412 3.97740 0.05
22.4758 1.78 0.0957 3.95261 0.23
22.4765 0.05 0.0957 3.95250 0.01
22.5698 4.53 0.4412 3.93636 0.58
22.6575 7.06 0.4412 3.92132 0.91
22.7544 5.28 0.0957 3.90485 0.68
22.7555 0.74 0.0957 3.90466 0.10
22.8602 538.15 0.0957 3.88701 69.11
22.8784 1.10 0.4412 3.88397 0.14
22.8949 2.27 0.4412 3.88121 0.29
22.9441 2.80 0.4412 3.87299 0.36

4 of 10
User: User Date: 2023-05-04 Time: 오후 2:56:15

22.9553 13.84 0.1731 3.87112 1.78

22.9860 243.11 0.0957 3.86602 31.22
22.9870 369.00 0.0957 3.86586 47.39
23.0850 0.25 0.4412 3.84967 0.03
23.1027 2.26 0.4412 3.84677 0.29
23.1849 0.10 0.0957 3.83330 0.01
23.1855 23.26 0.0957 3.83320 2.99
23.2722 7.62 0.4412 3.81913 0.98
23.4568 107.01 0.0957 3.78949 13.74
23.4878 12.47 0.2158 3.78456 1.60
23.5884 2.65 0.4412 3.76865 0.34
23.5897 0.08 0.4412 3.76843 0.01
23.6632 3.42 0.4412 3.75689 0.44
23.6861 8.28 0.0957 3.75332 1.06
23.7147 0.05 0.0957 3.74886 0.01
23.7513 1.11 0.2158 3.74316 0.14
23.8303 12.58 0.4412 3.73094 1.62
23.8778 0.19 0.4412 3.72362 0.02
23.9121 32.83 0.0957 3.71836 4.22
23.9131 11.67 0.0957 3.71820 1.50
23.9854 0.09 0.4412 3.70716 0.01
24.0313 0.02 0.0957 3.70018 0.00
24.0314 0.85 0.0957 3.70016 0.11
24.1392 2.36 0.4412 3.68389 0.30
24.2036 96.05 0.0957 3.67423 12.33
24.2039 389.19 0.0957 3.67418 49.98
24.3231 132.42 0.0957 3.65644 17.01
24.3237 41.77 0.0957 3.65636 5.36
24.3617 0.87 0.0957 3.65074 0.11
24.4123 0.23 0.0957 3.64328 0.03
24.4127 7.10 0.0957 3.64323 0.91
24.4338 57.73 0.0957 3.64013 7.41
24.4343 23.30 0.0957 3.64006 2.99
24.4667 5.45 0.0957 3.63532 0.70
24.5213 6.03 0.4412 3.62734 0.77
24.5368 42.80 0.4412 3.62508 5.50
24.5777 0.02 0.0957 3.61914 0.00
24.5787 0.10 0.0957 3.61900 0.01
24.5919 3.26 0.2158 3.61708 0.42
25.1379 0.16 0.4412 3.53974 0.02
25.2106 2.16 0.0957 3.52970 0.28
25.2115 7.25 0.0957 3.52958 0.93

Pattern List: (Bookmark 4)

Compound Chem.
Visible Ref.Code Score Displ.[°2θ] Scale Fac.
Name Formula
* 99-001-0006 17 OCP 0.000 0.476 Ca16.00
P12.00

5 of 10
User: User Date: 2023-05-04 Time: 오후 2:56:15

O58.00
O25.92
H1.39
* 99-001-0003 24 HA 0.000 0.151
Ca10.00
P6.00
Ca72.00
* 99-001-0002 27 alpha-TCP 0.000 0.278 P48.00
O192.00
DCPD
(ICDD# 00-
009-0077) de Ca4.00 P4.00
* 99-001-0007 18 Wolff, 0.000 0.159 O24.00
Technisch H20.00
Physische
Dienst

Document History: (Bookmark 5)

ESD calculated from counts:
- Modification time = "2023-05-04 오전 10:45:11"
- Modification editor = "User"

Insert Measurement:
- File name = "230503 Ca_P =1.3(04.26).xrdml"
- Modification time = "2023-05-04 오전 10:45:11"
- Modification editor = "User"

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"
- KBeta filter material = "Ni"
- KBeta filter thickness = "0.02000"
- Receiving slit size = "0.10000"
- Step axis value = "0.00000"
- Offset = "0.00000"
- Sample length = "10.00000"
- Modification time = "2023-05-04 오전 10:45:11"
- Modification editor = "User"

Interpolate Step Size:

- Initial Scan Range = 3.01087 - 59.99450
- Initial Step Size = 0.02173
- Derived Step Size = 0.02200

6 of 10
User: User Date: 2023-05-04 Time: 오후 2:56:15

- Use Derived Step Size = "Yes"

- Parameterset name = "Default"
- PANalytical factory default
- Modification time = "2023-05-04 오전 10:45:11"
- Modification editor = "User"

Determine Background:
- Add to net scan = "Nothing"
- User defined intensity = "-5"
- Correction method = "Automatic"
- Bending factor = "1"
- Minimum significance = "0.7"
- Minimum tip width = "0"
- Maximum tip width = "1"
- Peak base width = "2"
- Use smoothed input data = "Yes"
- Granularity = "27"
- Parameterset name = "1-27"
- Parameterset modification time = "2021-04-29 오후 1:25:09"
- Parameterset modification editor = "User"
- Modification time = "2023-05-04 오후 2:48:44"
- Modification editor = "User"

Search Peaks:
- Minimum significance = "1"
- Minimum tip width = "0.01"
- Maximum tip width = "1"
- Peak base width = "2"
- Method = "Minimum 2nd derivative"
- Parameterset name = "1"
- Parameterset modification time = "2021-04-29 오후 1:26:23"
- Parameterset modification editor = "User"
- Modification time = "2023-05-04 오후 2:48:44"
- Modification editor = "User"

Profile/Rietveld fitting:
- Angular range Gonio = 3.011 - 59.991
- Step No. 1
- Title = "Flat Background"
- Switch off after usage = "No"
- Step No. 2
- Title = "More background"
- Switch off after usage = "No"
- No. additional parameters = "10"
- Use 1/X background too = "Yes"
- Step No. 3
- Title = "Peak Position"
- Switch off after usage = "No"
- Minimum Irelative % = "-1"
- Step No. 4

7 of 10
User: User Date: 2023-05-04 Time: 오후 2:56:15

- Title = "Peak Area"

- Switch off after usage = "No"
- Minimum Irelative % = "-1"
- Step No. 5
- Title = "Peak FWHM"
- Switch off after usage = "No"
- Minimum Irelative % = "-1"
- Step No. 6
- Title = "Peak Shape"
- Switch off after usage = "No"
- Minimum Irelative % = "-1"
- Step No. 7
- Title = "FCJ Asymmetry Parameters"
- Switch off after usage = "No"
- Minimum weight % = "-1"
- Refine S/L Ratio = "Yes"
- Refine D/L Ratio = "No"
- No. of refined parameters = 253
- Chi Square = 1.28621957296246
- Rp = 0.05346
- Rwp = 0.07118
- Rexp = 0.05534
- Modification time = "2023-05-04 오후 2:48:53"
- Modification editor = "User"

Search & Match:

- Allow pattern shift = "No"
- Auto residue = "Yes"
- Data source = "Profile and peak list"
- Demote unmatched strong = "Yes"
- Multi phase = "Yes"
- Restriction set = "Untitled"
- Restriction = "Restriction set"
- 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"
- Match Threshold = "0"

8 of 10
User: User Date: 2023-05-04 Time: 오후 2:56:15

- 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"
- Parameterset name = "Untitled"
- Parameterset modification time = "2023-04-26 오후 5:46:57"
- Parameterset modification editor = "User"
- Modification time = "2023-05-04 오후 2:49:12"
- Modification editor = "User"

Profile/Rietveld fitting:
- Angular range Gonio = 3.011 - 59.991
- Step No. 1
- Title = "Scale Factor"
- Switch off after usage = "No"
- Step No. 2
- Title = "Flat Background"
- Switch off after usage = "No"
- Step No. 3
- Title = "More background"
- Switch off after usage = "No"
- No. additional parameters = "2"
- Use 1/X background too = "Yes"
- Step No. 4
- Title = "Specimen Displacement"
- Switch off after usage = "No"
- Step No. 5
- Title = "Lattice Parameters"
- Switch off after usage = "No"
- Minimum weight % = "5"
- Step No. 6
- Title = "Caglioti W"
- Switch off after usage = "No"
- Minimum weight % = "5"
- No. of refined parameters = 29
- Chi Square = 1.70170919527022
- Rp = 0.07719
- Rwp = 0.09858
- Rexp = 0.05793
- Modification time = "2023-05-04 오후 2:51:08"
- Modification editor = "User"

More items… (Bookmark 6)

More items… (Bookmark 7)

9 of 10
User: User Date: 2023-05-04 Time: 오후 2:56:15

More items… (Bookmark 8)

More items… (Bookmark 9)

More items… (Bookmark 10)

More items… (Bookmark 11)

More items… (Bookmark 12)

More items… (Bookmark 13)

More items… (Bookmark 14)

More items… (Bookmark 15)

10 of 10