Graphics

Graphics

Pattern List

Ref.Code     Chem. Formula         Score    Scale Fac.  Mineral Name          
01-075-8321  Si O2                      66       0.899  Quartz                
04-004-3819  Fe S2                      59       0.107  pyrite                
00-005-0448  Ba S O4                    45       0.067  Baryte                
04-012-0489  Ca ( C O3 )                35       0.078  Calcite               
04-017-0520  K0.7 Na0.01 Ca0.01..       35       0.399  Illite                
04-016-6883  K0.95 Na0.05 Mg0.1..       34       0.163  Muscovite-2M1         
00-009-0466  Na Al Si3 O8               24       0.038  Albite, ordered       

Peak List

Pos.[°2Th.]  d-spacing [Å]  Rel. Int. [%]  Matched by
   8.778(3)       10.06564           6.62  04-017-0520;04..  
   8.800(3)       10.06564           3.31                    
  17.714(7)        5.00299           1.71  04-017-0520;04..  
  17.758(7)        5.00299           0.85                    
  19.804(4)        4.47938           2.86  00-005-0448;04..  
  19.854(4)        4.47938           1.43                    
   20.59(3)        4.31000           2.22  00-005-0448;04..  
   20.64(3)        4.31000           1.11                    
 20.8378(9)        4.25948          17.71  01-075-8321;04..  
 20.8901(9)        4.25948           8.85                    
  22.026(8)        4.03236           1.04  00-009-0466       
  22.081(8)        4.03236           0.52                    
  22.798(5)        3.89741           2.96  00-005-0448;04..  
  22.856(5)        3.89741           1.48                    
   23.04(1)        3.85686           0.89  04-012-0489;04..  
   23.10(1)        3.85686           0.44                    
   23.59(1)        3.76814           1.13  00-005-0448;04..  
   23.65(1)        3.76814           0.56                    
   24.22(2)        3.67194           1.32  00-009-0466       
   24.28(2)        3.67194           0.66                    
  24.847(6)        3.58045           2.00  00-005-0448;04..  
  24.910(6)        3.58045           1.00                    
   25.38(2)        3.50594           1.38  04-016-6883;00..  
   25.45(2)        3.50594           0.69                    
  25.846(3)        3.44431           4.46  00-005-0448       
  25.912(3)        3.44431           2.23                    
 26.6185(3)        3.34612         100.00  01-075-8321;04..  
 26.6858(3)        3.34612          50.00                    
   27.70(1)        3.21736           0.42  04-016-6883;00..  
   27.77(1)        3.21736           0.21                    
   27.88(1)        3.19799           2.90  04-016-6883;00..  
   27.95(1)        3.19799           1.45                    
  28.488(3)        3.13061           4.84  04-004-3819;04..  
  28.561(3)        3.13061           2.42                    
  28.750(3)        3.10273           4.51  04-004-3819;00..  
  28.823(3)        3.10273           2.26                    
  29.393(2)        3.03628           7.51  04-012-0489       
  29.468(2)        3.03628           3.75                    
   29.88(1)        2.98808           1.19  04-016-6883       
   29.95(1)        2.98808           0.59                    
  30.947(8)        2.88722           1.66  04-017-0520       
  31.026(8)        2.88722           0.83                    
  31.512(5)        2.83677           2.40  00-005-0448;04..  
  31.592(5)        2.83677           1.20                    
  31.986(4)        2.79584           1.35  04-016-6883;00..  
  32.067(4)        2.79584           0.68                    
  32.809(6)        2.72752           2.91  04-004-3819;00..  
  32.893(6)        2.72752           1.46                    
  33.013(2)        2.71112          11.65  04-004-3819;00..  
  33.098(2)        2.71112           5.83                    
   34.60(1)        2.59041           1.33  04-017-0520;04..  
   34.69(1)        2.59041           0.67                    
  34.937(8)        2.56612           2.51  04-017-0520;04..  
  35.026(8)        2.56612           1.26                    
   36.03(2)        2.49084           0.60  00-005-0448;04..  
   36.12(2)        2.49084           0.30                    
  36.524(2)        2.45818           6.99  01-075-8321;00..  
  36.618(2)        2.45818           3.50                    
  37.045(2)        2.42481           7.24  04-004-3819;04..  
  37.140(2)        2.42481           3.62                    
   37.48(5)        2.39775           0.46  04-017-0520;04..  
   37.57(5)        2.39775           0.23                    
   38.03(1)        2.36432           1.82  04-017-0520;04..  
   38.13(1)        2.36432           0.91                    
   38.78(1)        2.32021           1.89  00-005-0448;04..  
   38.88(1)        2.32021           0.95                    
  39.443(2)        2.28273           7.24  01-075-8321;00..  
  39.545(2)        2.28273           3.62                    
  40.268(3)        2.23783           2.91  01-075-8321;04..  
  40.372(3)        2.23783           1.46                    
  40.742(2)        2.21290           6.63  04-004-3819;00..  
  40.847(2)        2.21290           3.32                    
  42.437(7)        2.12833           5.12  01-075-8321;00..  
  42.548(7)        2.12833           2.56                    
  42.588(5)        2.12114           3.30  01-075-8321;00..  
  42.699(5)        2.12114           1.65                    
  42.914(6)        2.10578           2.76  00-005-0448;04..  
  43.026(6)        2.10578           1.38                    
   44.01(1)        2.05595           0.62  00-005-0448;04..  
   44.12(1)        2.05595           0.31                    
   45.35(1)        1.99837           1.48  04-017-0520;04..  
   45.46(1)        1.99837           0.74                    
  45.780(5)        1.98040           2.64  01-075-8321;04..  
  45.900(5)        1.98040           1.32                    
  47.407(2)        1.91616           6.04  04-004-3819;04..  
  47.532(2)        1.91616           3.02                    
  48.508(7)        1.87521           1.23  04-012-0489;04..  
  48.636(7)        1.87521           0.61                    
   49.04(1)        1.85605           0.74  00-005-0448;04..  
   49.17(1)        1.85605           0.37                    
  50.121(1)        1.81858          11.38  01-075-8321;04..  
  50.254(1)        1.81858           5.69                    
   51.03(2)        1.78823           0.50  00-005-0448;04..  
   51.17(2)        1.78823           0.25                    
   51.99(1)        1.75762           0.88  00-005-0448;04..  
   52.12(1)        1.75762           0.44                    
   54.38(8)        1.68563           0.40  00-005-0448;04..  
   54.53(8)        1.68563           0.20                    
  54.849(3)        1.67245           3.97  01-075-8321;00..  
  54.997(3)        1.67245           1.99                    
   55.34(1)        1.65873           1.31  01-075-8321;04..  
   55.49(1)        1.65873           0.66                    
  56.235(1)        1.63447          10.64  04-004-3819;00..  
  56.388(1)        1.63447           5.32                    
   57.68(4)        1.59704           0.45  00-005-0448;04..  
   57.83(4)        1.59704           0.22                    
  58.990(7)        1.56454           1.32  04-004-3819;04..  
  59.151(7)        1.56454           0.66                    
  59.943(2)        1.54192           6.98  01-075-8321;04..  
  60.108(2)        1.54192           3.49                    
  61.648(5)        1.50331           3.10  04-004-3819;04..  
  61.818(5)        1.50331           1.55                    
   61.99(2)        1.49574           0.52  00-005-0448;04..  
   62.17(2)        1.49574           0.26                    
   63.01(1)        1.47400           0.68  00-005-0448;04..  
   63.19(1)        1.47400           0.34                    
  64.014(8)        1.45334           1.51  01-075-8321;04..  
  64.192(8)        1.45334           0.75                    
  64.251(4)        1.44855           2.27  01-075-8321;04..  
  64.429(4)        1.44855           1.13                    
   65.56(2)        1.42279           0.63  01-075-8321;00..  
   65.74(2)        1.42278           0.32                    
  67.724(4)        1.38246           3.85  01-075-8321;04..  
  67.915(4)        1.38246           1.92                    
  68.126(4)        1.37528           5.94  01-075-8321;04..  
  68.297(8)        1.37225           2.51  01-075-8321;04..  
  68.318(4)        1.37528           2.97                    
  68.490(8)        1.37225           1.25                    

Anchor Scan Parameters

Dataset Name:	ML 10
File name:	C:\XRD Data\ML 10.xrdml
Comment:	Configuration=Spinner Srage - Transmission, Owner=User-1, Creation date=11/5/2013 2:01:36 PM
	Goniometer=PW3050/60 (Theta/Theta); Minimum step size 2Theta:0.001; Minimum step size Omega:0.001
	Sample stage=Reflection-Transmission Spinner PW3064/60; Minimum step size Phi:0.1
	Diffractometer system=XPERT-PRO
	Measurement program=C:\Users\SEMCAL_XRD\Documents\Marcellus MSEEL\ML 10.xrdmp, Identifier={2D82BAD7-9A58-4FE5-819A-AF49292333D7}
	Batch program=C:\PANalytical\Data Collector\Programs\Xcelerator batch.xrdmp, Identifier={84E10068-4BCE-4714-B832-B26EF8078641}
	ML 10
Measurement Date / Time:	6/16/2016 12:01:53 PM
Operator:	SEMCAL_XRD
Raw Data Origin:	XRD measurement (*.XRDML)
Scan Axis:	Gonio
Start Position [°2Th.]:	5.0084
End Position [°2Th.]:	69.9824
Step Size [°2Th.]:	0.0170
Scan Step Time [s]:	20.3200
Scan Type:	Continuous
PSD Mode:	Scanning
PSD Length [°2Th.]:	2.12
Offset [°2Th.]:	0.0000
Divergence Slit Type:	Fixed
Divergence Slit Size [°]:	0.2177
Specimen Length [mm]:	10.00
Measurement Temperature [°C]:	25.00
Anode Material:	Cu
K-Alpha1 [Å]:	1.54060
K-Alpha2 [Å]:	1.54443
K-Beta [Å]:	1.39225
K-A2 / K-A1 Ratio:	0.50000
Generator Settings:	40 mA, 45 kV
Diffractometer Type:	0000000011117966
Diffractometer Number:	0
Goniometer Radius [mm]:	240.00
Dist. Focus-Diverg. Slit [mm]:	100.00
Incident Beam Monochromator:	No
Spinning:	Yes

Document History

Insert Measurement:
- File name = "ML 10.xrdml"
- Modification time = "9/28/2017 5:31:55 PM"
- Modification editor = "SEMCAL_XRD"

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"
- Receiving slit size = "0.10000"
- Step axis value = "0.00000"
- Offset = "0.00000"
- Sample length = "10.00000"
- Modification time = "9/28/2017 5:31:55 PM"
- Modification editor = "SEMCAL_XRD"

Interpolate Step Size:
- Derived = "Yes"
- Step Size = "0.01"
- Modification time = "9/28/2017 5:31:55 PM"
- Modification editor = "PANalytical"

Determine Background:
- Add to net scan = "Nothing"
- User defined intensity = "-5"
- Correction method = "Automatic"
- Bending factor = "2"
- Minimum significance = "1"
- Minimum tip width = "0.1"
- Maximum tip width = "1"
- Peak base width = "2"
- Use smoothed input data = "No"
- Granularity = "21"
- Modification time = "9/25/2017 12:09:35 PM"
- Modification editor = "SEMCAL_XRD"

Search Peaks:
- Minimum significance = "1"
- Minimum tip width = "0.1"
- Maximum tip width = "1"
- Peak base width = "2"
- Method = "Minimum 2nd derivative"
- Modification time = "4/28/2017 4:58:53 PM"
- Modification editor = "SEMCAL_XRD"

Insert Peak:
- Peak position [°2Th.] = "23.0437"
- Modification time = "9/28/2017 5:33:01 PM"
- Modification editor = "SEMCAL_XRD"

Insert Peak:
- Peak position [°2Th.] = "27.7974"
- Modification time = "9/28/2017 5:33:24 PM"
- Modification editor = "SEMCAL_XRD"

Insert Peak:
- Peak position [°2Th.] = "32.8053"
- Modification time = "9/28/2017 5:33:31 PM"
- Modification editor = "SEMCAL_XRD"

Insert Peak:
- Peak position [°2Th.] = "37.4668"
- Modification time = "9/28/2017 5:33:39 PM"
- Modification editor = "SEMCAL_XRD"

Insert Peak:
- Peak position [°2Th.] = "42.5598"
- Modification time = "9/28/2017 5:33:52 PM"
- Modification editor = "SEMCAL_XRD"

Insert Peak:
- Peak position [°2Th.] = "54.4731"
- Modification time = "9/28/2017 5:34:05 PM"
- Modification editor = "SEMCAL_XRD"

Insert Peak:
- Peak position [°2Th.] = "61.9709"
- Modification time = "9/28/2017 5:34:14 PM"
- Modification editor = "SEMCAL_XRD"

Insert Peak:
- Peak position [°2Th.] = "64.0154"
- Modification time = "9/28/2017 5:34:16 PM"
- Modification editor = "SEMCAL_XRD"

Profile fitting:
- Angular range [°2Th.] = "5.008 - 69.982"
- Step No. 1
- Title = "Flat Background"
- Min. Shift/ESD = "0.1"
- Switch off after usage = "False"
- Step No. 2
- Title = "More background"
- Min. Shift/ESD = "0.1"
- Switch off after usage = "False"
- No. additional parameters = "3"
- Use 1/X background too = "True"
- Step No. 3
- Title = "Peak Position"
- Min. Shift/ESD = "0.1"
- Switch off after usage = "False"
- Step No. 4
- Title = "Peak Height"
- Min. Shift/ESD = "0.1"
- Switch off after usage = "False"
- Step No. 5
- Title = "Peak FWHM"
- Min. Shift/ESD = "0.1"
- Switch off after usage = "False"
- Step No. 6
- Title = "Peak Shape"
- Min. Shift/ESD = "0.1"
- Switch off after usage = "False"
- No. of refined parameters = "261"
- Chi Square = "1.35527581469201"
- Rp = "0.04410"
- Rwp = "0.05721"
- Rexp = "0.04221"
- Modification time = "9/28/2017 5:35:11 PM"
- Modification editor = "SEMCAL_XRD"

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"
- Modification time = "9/28/2017 5:35:57 PM"
- Modification editor = "SEMCAL_XRD"