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    H-1 Report

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    Saurav Paul
    This document summarizes the results of an X-ray diffraction scan of a sample called H-1. It lists the scan parameters and identifies two possible matches in the database as apatite with scale factors of 0.224 and 0.249 respectively. The document history shows that the user analyzed the scan results and refined the peak search parameters.

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    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd

    H-1 Report

    Uploaded by

    Saurav Paul
    21 views3 pages
    This document summarizes the results of an X-ray diffraction scan of a sample called H-1. It lists the scan parameters and identifies two possible matches in the database as apatite with scale factors of 0.224 and 0.249 respectively. The document history shows that the user analyzed the scan results and refined the peak search parameters.

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    H-1 report

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    This document summarizes the results of an X-ray diffraction scan of a sample called H-1. It lists the scan parameters and identifies two possible matches in the database as apatite with scale factors of 0.224 and 0.249 respectively. The document history shows that the user analyzed the scan results and refined the peak search parameters.

    Copyright:

    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd
    Download as pdf or txt
    21 views3 pages

    H-1 Report

    Uploaded by

    Saurav Paul
    This document summarizes the results of an X-ray diffraction scan of a sample called H-1. It lists the scan parameters and identifies two possible matches in the database as apatite with scale factors of 0.224 and 0.249 respectively. The document history shows that the user analyzed the scan results and refined the peak search parameters.

    Copyright:

    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd
    Download as pdf or txt
    of 3

    Date: 2/13/2019 Time: 4:09:14 PM File: HighScore Plus - H-1 User: User

    Anchor Scan Parameters

    Dataset Name H-1


    File name C:\XRD Data\Krishna Chandra Das-CHM-NITS\08-02-19\H-1.xrdml
    Comment Configuration=Flat sample stage, Owner=User-1, Creation date=5/12/2017 2:07:12 PM
    Goniometer=PW3050/60 (Theta/Theta); Minimum step size 2Theta:0.001; Minimum step size Omega:0.001
    Sample stage=PW3071/xx Bracket
    Diffractometer system=XPERT-3
    Measurement program=C:\PANalytical\Data Collector\Programs\Scan Program_BBHD_Xcelerator.xrdmp, Identifier={670927ED-6A3A-43D6-
    AFC6-1EA5AFD76022}
    PHD Lower Level = 5.71 (keV), PHD Upper Level = 16.10 (keV)
    Measurement Start Date/Time 2/12/2019 2:57:39 PM
    Operator User
    Raw Data Origin XRD measurement (*.XRDML)
    Scan Axis Gonio
    Start Position [°2θ] 10.0042
    End Position [°2θ] 79.9962
    Step Size [°2θ] 0.0080
    Scan Step Time [s] 29.8450
    Scan Type Continuous
    PSD Mode Scanning
    PSD Length [°2θ] 2.12
    Offset [°2θ] 0.0000
    Divergence Slit Type Fixed
    Divergence Slit Size [°] 0.1089
    Specimen Length [mm] 10.00
    Measurement Temperature [°C] 25.00
    Anode Material Cu
    K-Alpha1 [Å] 1.54060
    Generator Settings 40 mA, 45 kV
    Diffractometer Type 0000000011182922
    Diffractometer Number 0
    Goniometer Radius [mm] 240.00
    Dist. Focus-Diverg. Slit [mm] 100.00
    Incident Beam Monochromator No
    Spinning No

    Graphics

    Peak List

    Pos. [°2θ] Height FWHM Left d-spacing Rel. Int.


    [cts] [°2θ] [Å] [%]
    13.8719 10.72 0.2304 6.37878 4.55
    17.2500 25.01 0.1536 5.13647 10.61
    22.0772 12.47 0.4608 4.02308 5.29
    26.0622 56.65 0.0960 3.41626 24.02
    28.0539 106.86 0.0960 3.17808 45.31
    30.5320 28.88 0.5376 2.92555 12.25
    31.3169 235.81 0.1344 2.85400 100.00
    31.7012 80.59 0.1920 2.82026 34.17
    32.7166 49.26 0.1152 2.73502 20.89
    33.3420 25.12 0.3072 2.68513 10.65

    1 Of 3
    Date: 2/13/2019 Time: 4:09:14 PM File: HighScore Plus - H-1 User: User
    34.6245 147.35 0.1152 2.58856 62.49
    35.8522 29.22 0.1152 2.50267 12.39
    37.5680 8.91 0.6144 2.39222 3.78
    40.1187 22.12 0.1152 2.24582 9.38
    41.3300 19.98 0.1536 2.18275 8.47
    41.9434 16.72 0.3072 2.15223 7.09
    45.5769 19.20 0.2304 1.98874 8.14
    47.2254 61.53 0.1152 1.92309 26.09
    48.2016 26.37 0.2304 1.88640 11.18
    48.6250 21.92 0.2304 1.87096 9.30
    53.2538 68.62 0.0768 1.71873 29.10
    53.9697 15.49 0.4608 1.69761 6.57
    57.6721 6.34 0.4608 1.59712 2.69
    59.7506 13.20 0.4608 1.54643 5.60

    Pattern List

    Visible Ref.Code Score Compound Displ.[°2θ] Scale Fac. Chem.


    Name Formula
    * 98-016-777 8 Apatite- 0.000 0.224 H1 Ca5 O13
    7 (CaOH) P3
    * 98-018-374 7 Apatite- 0.000 0.249 H2 Ca10
    4 (CaOH) O26 P6

    Document History

    Insert Measurement:
    - File name = "H-1.xrdml"
    - Modification time = "2/13/2019 3:45:03 PM"
    - 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"
    - Spinner used = "No"
    - 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 = "2/13/2019 3:45:03 PM"
    - Modification editor = "User"

    Interpolate Step Size:


    - Initial Scan Range = 10.00420 - 79.99930
    - Initial Step Size = 0.00836
    - Derived Step Size = 0.00800
    - Use Derived Step Size = "Yes"
    - Modification time = "2/13/2019 3:45:03 PM"
    - Modification editor = "PANalytical"

    Determine Background:
    - Add to net scan = "Nothing"
    - User defined intensity = "-5"
    - Correction method = "Automatic"
    - Bending factor = "0"
    - Minimum significance = "0.7"
    - Minimum tip width = "0"
    - Maximum tip width = "1"

    2 Of 3
    Date: 2/13/2019 Time: 4:09:14 PM File: HighScore Plus - H-1 User: User
    - Peak base width = "2"
    - Use smoothed input data = "Yes"
    - Granularity = "100"
    - Modification time = "2/13/2019 3:48:26 PM"
    - Modification editor = "User"

    Search Peaks:
    - Minimum significance = "2"
    - Minimum tip width = "0.01"
    - Maximum tip width = "1"
    - Peak base width = "2"
    - Method = "Minimum 2nd derivative"
    - Modification time = "2/11/2019 4:12:02 PM"
    - Modification editor = "User"

    Strip K-α2:
    - Method = "Rachinger"
    - Intensity ratio = "0.5"
    - Delta wavelength ratio = "0"
    - Modification time = "2/13/2019 3:48:36 PM"
    - 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 = "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"
    - Modification time = "2/13/2019 3:49:44 PM"
    - Modification editor = "User"

    Search Peaks:
    - Minimum significance = "4"
    - Minimum tip width = "0.01"
    - Maximum tip width = "1"
    - Peak base width = "2"
    - Method = "Minimum 2nd derivative"
    - Modification time = "2/13/2019 3:51:31 PM"
    - Modification editor = "User"

    Search Peaks:
    - Minimum significance = "2"
    - Minimum tip width = "0.01"
    - Maximum tip width = "1"
    - Peak base width = "2"
    - Method = "Minimum 2nd derivative"
    - Modification time = "2/13/2019 3:51:58 PM"
    - Modification editor = "User"

    3 Of 3

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