'  '  '          '  '/'

INSTRUMENT          {

NIMROD          Instrument name
/home/aks45/Gudrun/GudrunN/run/NIMROD/MCM41GasAbsorption/          Gudrun input file directory:
/home/aks45/Gudrun/GudrunN/RawData/NIMROD/RB1800005/          Data file directory
nxs          Data file type
StartupFiles/NIMROD/NIMROD84modules+9monitors+LAB5Oct2012Detector.calib          Detector calibration file name
4          User table column number for phi values
StartupFiles/NIMROD/NIMROD84modules+9monitors+LAB5Oct2012Groups.dat          Groups file name
StartupFiles/NIMROD/NIMRODdeadtimeNone.cor          Deadtime constants file name
4 5          Spectrum number(s) for incident beam monitor
0  0          Wavelength range [Å] for monitor normalisation
8 9          Spectrum number(s) for transmission monitor
0.0001          Incident monitor quiet count constant
0.0001          Transmission monitor quiet count constant
0  0          Channel numbers for spike analysis
5          Spike analysis acceptance factor
0.05  12  0.1          Wavelength range to use [Å] and step size
200            No. of smooths on monitor
0.02  50.0  -0.05          Min, Max and step in x-scale (-ve for logarithmic binning)
0  0  0  0          0 0 0 0 to end input of specified values
1          Groups acceptance factor 
4          Merge power
0          Subtract single atom scattering?
2          By channel?
20.0          Incident flight path [m]
0          Spectrum number to output diagnostic files
StartupFiles/NIMROD/sears91_gudrun.dat          Neutron scattering parameters file
1          Scale selection: 1 = Q, 2 = d-space, 3 = wavelength, 4 = energy, 5 = TOF
1          Subtract wavelength-binned data?
/home/aks45/Gudrun/Gudrun2014/Gudrun          Folder where Gudrun started
/home/aks45/Gudrun/Gudrun2014/Gudrun/StartupFiles/SLS          Folder containing the startup file
0.03          Logarithmic step size
1          Hard group edges?
StartupFiles/NIMROD/NIMROD84modules+9monitors+LAB.nexus_txt          NeXus definition file
4          Number of iterations
0          Tweak the tweak factor(s)?

}

BEAM          {

FLATPLATE          Sample geometry
2          Number of beam profile values
1.0  1.0            Beam profile values (Maximum of 50 allowed currently)
0.05  0.2  100          Step size for absorption and m.s. calculation and no. of slices
10          Angular step for corrections [deg.]          
-1.5  1.5  -1.5  1.5          Incident beam edges relative to centre of sample [cm]
-2.0  2.0  -2.1  2.1          Scattered beam edges relative to centre of sample [cm]
StartupFiles/NIMROD/spectrum000.dat          Filename containing incident beam spectrum parameters
1.0          Overall background factor 
0.0          Sample dependent background factor
0.0          Shielding attenuation coefficient [per m per A] 

}

NORMALISATION          {

1  1          Number of  files and period number
NIMROD00053768.nxs          NORMALISATION data files
1  1          Number of  files and period number
NIMROD00053769.nxs          NORMALISATION BACKGROUND data files
1          Force calculation of corrections?
V  0  0.9485          Normalisation atomic composition
Nb  0  0.0515          Normalisation atomic composition
*  0  0          * 0 0 to specify end of composition input
SameAsBeam          Geometry
0.15  0.15          Upstream and downstream thicknesses [cm]
0.0  5          Angle of rotation and sample width (cm)
-0.072          Density atoms/Å^3?
200          Temperature for normalisation Placzek correction
TABLES          Total cross section source
*          Normalisation differential cross section filename
0.01          Lower limit on smoothed normalisation  
1.05          Normalisation degree of smoothing
0.0          Minimum normalisation signal to background ratio

}

SAMPLE BACKGROUND          {

1  1          Number of  files and period number
NIMROD00053326.nxs          SAMPLE BACKGROUND data files

}

SAMPLE Empty TiZr Container          {

1  1          Number of  files and period number
NIMROD00053329.nxs          SAMPLE Empty TiZr Container data files
1          Force calculation of sample corrections?
Ti  0  7.16          Composition
Zr  0  3.438          Composition
*  0  0          * 0 0 to specify end of composition input
SameAsBeam          Geometry
0.107  0.107          Upstream and downstream thicknesses [cm]
0  5          Angle of rotation and sample width (cm)
-0.0542          Density atoms/Å^3?
0          Temperature for Placzek correction:
TRANSMISSION          Total cross section source
1.0          Tweak factor
0          Top hat width (1/Å) for cleaning up Fourier Transform
0.0          Minimum radius for FT  [Å]
0.1          g(r) broadening at r = 1A [A]
0  0          0   0          to finish specifying wavelength range of resonance
0.0  1.0  0          Exponential amplitude and decay [1/A]
*  0  0          * 0 0 to specify end of exponential parameter input
1.0          Normalisation correction factor
NIMROD00053329.msubw01          Name of file containing self scattering as a function of wavelength [A]
0          Normalise to:Nothing
20.0          Maximum radius for FT [A]
0          Output units: b/atom/sr
0.2          Power for broadening function e.g. 0.5
0.03          Step size [A] 
0          Analyse this sample? 
1.0  0.0          Sample environment scattering fraction and attenuation coefficient [per A]

}

GO          

SAMPLE  Dry MCM41 at 88K Adjust tweak factor 1 ver 2          {

4  1          Number of  files and period number
NIMROD00053339.nxs          SAMPLE  Dry MCM41 at 88K Adjust tweak factor 1 ver 2 data files
NIMROD00053340.nxs          SAMPLE  Dry MCM41 at 88K Adjust tweak factor 1 ver 2 data files
NIMROD00053341.nxs          SAMPLE  Dry MCM41 at 88K Adjust tweak factor 1 ver 2 data files
NIMROD00053342.nxs          SAMPLE  Dry MCM41 at 88K Adjust tweak factor 1 ver 2 data files
1          Force calculation of sample corrections?
Si  0  1.0          Composition
O  0  2.11          Composition
H  0  0.22          Composition
*  0  0          * 0 0 to specify end of composition input
SameAsBeam          Geometry
0.1  0.1          Upstream and downstream thicknesses [cm]
0  10          Angle of rotation and sample width (cm)
-0.02484          Density atoms/Å^3?
0          Temperature for Placzek correction:
TRANSMISSION          Total cross section source
5.45          Tweak factor
-10.0          Top hat width (1/Å) for cleaning up Fourier Transform
0.7          Minimum radius for FT  [Å]
0.05          g(r) broadening at r = 1A [A]
0  0          0   0          to finish specifying wavelength range of resonance
0.0  1.0  0          Exponential amplitude and decay [1/A]
*  0  0          * 0 0 to specify end of exponential parameter input
1.0          Normalisation correction factor
NIMROD00053339.msubw01          Name of file containing self scattering as a function of wavelength [A]
0          Normalise to:Nothing
20.0          Maximum radius for FT [A]
0          Output units: b/atom/sr
0.05          Power for broadening function e.g. 0.5
0.03          Step size [A] 
0          Analyse this sample? 
1.0  0.0          Sample environment scattering fraction and attenuation coefficient [per A]

}

CONTAINER 2mm TiZr flat plate cell          {

1  1          Number of  files and period number
NIMROD00053329.nxs          CONTAINER 2mm TiZr flat plate cell data files
Ti  0  7.16          Composition
Zr  0  3.438          Composition
*  0  0          * 0 0 to specify end of composition input
SameAsBeam          Geometry
0.1  0.1          Upstream and downstream thicknesses [cm]
0  10          Angle of rotation and sample width (cm)
-0.0542          Density atoms/Å^3?
TRANSMISSION          Total cross section source
1.0          Tweak factor
1.0  0.0          Sample environment scattering fraction and attenuation coefficient [per A]

}

GO          

SAMPLE  O2 in MCM41 at 110-102K          {

20  1          Number of  files and period number
NIMROD00053463.nxs          SAMPLE  O2 in MCM41 at 110-102K data files
NIMROD00053464.nxs          SAMPLE  O2 in MCM41 at 110-102K data files
NIMROD00053465.nxs          SAMPLE  O2 in MCM41 at 110-102K data files
NIMROD00053466.nxs          SAMPLE  O2 in MCM41 at 110-102K data files
NIMROD00053467.nxs          SAMPLE  O2 in MCM41 at 110-102K data files
NIMROD00053468.nxs          SAMPLE  O2 in MCM41 at 110-102K data files
NIMROD00053469.nxs          SAMPLE  O2 in MCM41 at 110-102K data files
NIMROD00053470.nxs          SAMPLE  O2 in MCM41 at 110-102K data files
NIMROD00053471.nxs          SAMPLE  O2 in MCM41 at 110-102K data files
NIMROD00053472.nxs          SAMPLE  O2 in MCM41 at 110-102K data files
NIMROD00053473.nxs          SAMPLE  O2 in MCM41 at 110-102K data files
NIMROD00053474.nxs          SAMPLE  O2 in MCM41 at 110-102K data files
NIMROD00053475.nxs          SAMPLE  O2 in MCM41 at 110-102K data files
NIMROD00053476.nxs          SAMPLE  O2 in MCM41 at 110-102K data files
NIMROD00053477.nxs          SAMPLE  O2 in MCM41 at 110-102K data files
NIMROD00053478.nxs          SAMPLE  O2 in MCM41 at 110-102K data files
NIMROD00053479.nxs          SAMPLE  O2 in MCM41 at 110-102K data files
NIMROD00053480.nxs          SAMPLE  O2 in MCM41 at 110-102K data files
NIMROD00053481.nxs          SAMPLE  O2 in MCM41 at 110-102K data files
NIMROD00053482.nxs          SAMPLE  O2 in MCM41 at 110-102K data files
1          Force calculation of sample corrections?
Si  0  1.0          Sample atomic composition
O  0  2.11          Sample atomic composition
H  0  0.22          Sample atomic composition
O  0  1.001          Sample atomic composition
*  0  0          * 0 0 to specify end of composition input
SameAsBeam          Geometry
0.1  0.1          Upstream and downstream thicknesses [cm]
0  10          Angle of rotation and sample width (cm)
-0.03231          Density atoms/Å^3?
0          Temperature for sample Placzek correction
TRANSMISSION          Total cross section source
5.45          Sample tweak factor
-10.0          Top hat width (1/Å) for cleaning up Fourier Transform
0.7          Minimum radius for FT  [Å]
0.08          g(r) broadening at r = 1A [A]
0  0          0   0          to finish specifying wavelength range of resonance
0.0  1.0  0          Exponential amplitude and decay [1/A]
*  0  0          * 0 0 to specify end of exponential parameter input
1.0          Normalisation correction factor
NIMROD00053463.msubw01          Name of file containing self scattering as a function of wavelength [A]
0          Normalise to:Nothing
20.0          Maximum radius for FT [A]
0          Output units: b/atom/sr
0.05          Power for broadening function e.g. 0.5
0.03          Step size [A] 
1          Analyse this sample? 
1.0  0.0          Sample environment scattering fraction and attenuation coefficient [per A]

}

CONTAINER 2mm TiZr flat plate cell          {

1  1          Number of  files and period number
NIMROD00053329.nxs          CONTAINER 2mm TiZr flat plate cell data files
Ti  0  7.16          Composition
Zr  0  3.438          Composition
*  0  0          * 0 0 to specify end of composition input
SameAsBeam          Geometry
0.1  0.1          Upstream and downstream thicknesses [cm]
0  10          Angle of rotation and sample width (cm)
-0.0542          Density atoms/Å^3?
TRANSMISSION          Total cross section source
1.0          Tweak factor
1.0  0.0          Sample environment scattering fraction and attenuation coefficient [per A]

}

GO          

SAMPLE  O2 in MCM41 at 100K          {

4  1          Number of  files and period number
NIMROD00053483.nxs          SAMPLE  O2 in MCM41 at 100K data files
NIMROD00053484.nxs          SAMPLE  O2 in MCM41 at 100K data files
NIMROD00053485.nxs          SAMPLE  O2 in MCM41 at 100K data files
NIMROD00053486.nxs          SAMPLE  O2 in MCM41 at 100K data files
1          Force calculation of sample corrections?
Si  0  1.0          Composition
O  0  2.11          Composition
H  0  0.22          Composition
O  0  1.667          Composition
*  0  0          * 0 0 to specify end of composition input
SameAsBeam          Geometry
0.1  0.1          Upstream and downstream thicknesses [cm]
0  10          Angle of rotation and sample width (cm)
-0.03729          Density atoms/Å^3?
0          Temperature for Placzek correction:
TRANSMISSION          Total cross section source
5.45          Tweak factor
-10.0          Top hat width (1/Å) for cleaning up Fourier Transform
0.7          Minimum radius for FT  [Å]
0.08          g(r) broadening at r = 1A [A]
0  0          0   0          to finish specifying wavelength range of resonance
0.0  1.0  0          Exponential amplitude and decay [1/A]
*  0  0          * 0 0 to specify end of exponential parameter input
1.0          Normalisation correction factor
NIMROD00053483.msubw01          Name of file containing self scattering as a function of wavelength [A]
0          Normalise to:Nothing
20.0          Maximum radius for FT [A]
0          Output units: b/atom/sr
0.05          Power for broadening function e.g. 0.5
0.03          Step size [A] 
1          Analyse this sample? 
1.0  0.0          Sample environment scattering fraction and attenuation coefficient [per A]

}

CONTAINER 2mm TiZr flat plate cell          {

1  1          Number of  files and period number
NIMROD00053329.nxs          CONTAINER 2mm TiZr flat plate cell data files
Ti  0  7.16          Composition
Zr  0  3.438          Composition
*  0  0          * 0 0 to specify end of composition input
SameAsBeam          Geometry
0.1  0.1          Upstream and downstream thicknesses [cm]
0  10          Angle of rotation and sample width (cm)
-0.0542          Density atoms/Å^3?
TRANSMISSION          Total cross section source
1.0          Tweak factor
1.0  0.0          Sample environment scattering fraction and attenuation coefficient [per A]

}

GO          

SAMPLE  O2 in MCM41 at 98K          {

4  1          Number of  files and period number
NIMROD00053487.nxs          SAMPLE  O2 in MCM41 at 98K data files
NIMROD00053488.nxs          SAMPLE  O2 in MCM41 at 98K data files
NIMROD00053489.nxs          SAMPLE  O2 in MCM41 at 98K data files
NIMROD00053490.nxs          SAMPLE  O2 in MCM41 at 98K data files
1          Force calculation of sample corrections?
Si  0  1.0          Composition
O  0  2.11          Composition
H  0  0.22          Composition
O  0  2.794          Composition
*  0  0          * 0 0 to specify end of composition input
SameAsBeam          Geometry
0.1  0.1          Upstream and downstream thicknesses [cm]
0  10          Angle of rotation and sample width (cm)
-0.04569          Density atoms/Å^3?
0          Temperature for Placzek correction:
TRANSMISSION          Total cross section source
5.45          Tweak factor
-10.0          Top hat width (1/Å) for cleaning up Fourier Transform
0.7          Minimum radius for FT  [Å]
0.08          g(r) broadening at r = 1A [A]
0  0          0   0          to finish specifying wavelength range of resonance
0.0  1.0  0          Exponential amplitude and decay [1/A]
*  0  0          * 0 0 to specify end of exponential parameter input
1.0          Normalisation correction factor
NIMROD00053487.msubw01          Name of file containing self scattering as a function of wavelength [A]
0          Normalise to:Nothing
20.0          Maximum radius for FT [A]
0          Output units: b/atom/sr
0.05          Power for broadening function e.g. 0.5
0.03          Step size [A] 
1          Analyse this sample? 
1.0  0.0          Sample environment scattering fraction and attenuation coefficient [per A]

}

CONTAINER 2mm TiZr flat plate cell          {

1  1          Number of  files and period number
NIMROD00053329.nxs          CONTAINER 2mm TiZr flat plate cell data files
Ti  0  7.16          Composition
Zr  0  3.438          Composition
*  0  0          * 0 0 to specify end of composition input
SameAsBeam          Geometry
0.1  0.1          Upstream and downstream thicknesses [cm]
0  10          Angle of rotation and sample width (cm)
-0.0542          Density atoms/Å^3?
TRANSMISSION          Total cross section source
1.0          Tweak factor
1.0  0.0          Sample environment scattering fraction and attenuation coefficient [per A]

}

GO          

SAMPLE  O2 in MCM41 at 96K          {

4  1          Number of  files and period number
NIMROD00053491.nxs          SAMPLE  O2 in MCM41 at 96K data files
NIMROD00053492.nxs          SAMPLE  O2 in MCM41 at 96K data files
NIMROD00053493.nxs          SAMPLE  O2 in MCM41 at 96K data files
NIMROD00053494.nxs          SAMPLE  O2 in MCM41 at 96K data files
1          Force calculation of sample corrections?
Si  0  1.0          Composition
O  0  2.11          Composition
H  0  0.22          Composition
O  0  3.019          Composition
*  0  0          * 0 0 to specify end of composition input
SameAsBeam          Geometry
0.1  0.1          Upstream and downstream thicknesses [cm]
0  10          Angle of rotation and sample width (cm)
-0.04737          Density atoms/Å^3?
0          Temperature for Placzek correction:
TRANSMISSION          Total cross section source
5.45          Tweak factor
-10.0          Top hat width (1/Å) for cleaning up Fourier Transform
0.7          Minimum radius for FT  [Å]
0.08          g(r) broadening at r = 1A [A]
0  0          0   0          to finish specifying wavelength range of resonance
0.0  1.0  0          Exponential amplitude and decay [1/A]
*  0  0          * 0 0 to specify end of exponential parameter input
1.0          Normalisation correction factor
NIMROD00053491.msubw01          Name of file containing self scattering as a function of wavelength [A]
0          Normalise to:Nothing
20.0          Maximum radius for FT [A]
0          Output units: b/atom/sr
0.05          Power for broadening function e.g. 0.5
0.03          Step size [A] 
0          Analyse this sample? 
1.0  0.0          Sample environment scattering fraction and attenuation coefficient [per A]

}

CONTAINER 2mm TiZr flat plate cell          {

1  1          Number of  files and period number
NIMROD00053329.nxs          CONTAINER 2mm TiZr flat plate cell data files
Ti  0  7.16          Composition
Zr  0  3.438          Composition
*  0  0          * 0 0 to specify end of composition input
SameAsBeam          Geometry
0.1  0.1          Upstream and downstream thicknesses [cm]
0  10          Angle of rotation and sample width (cm)
-0.0542          Density atoms/Å^3?
TRANSMISSION          Total cross section source
1.0          Tweak factor
1.0  0.0          Sample environment scattering fraction and attenuation coefficient [per A]

}

GO          

SAMPLE  O2 in MCM41 at 94K          {

4  1          Number of  files and period number
NIMROD00053495.nxs          SAMPLE  O2 in MCM41 at 94K data files
NIMROD00053496.nxs          SAMPLE  O2 in MCM41 at 94K data files
NIMROD00053497.nxs          SAMPLE  O2 in MCM41 at 94K data files
NIMROD00053498.nxs          SAMPLE  O2 in MCM41 at 94K data files
1          Force calculation of sample corrections?
Si  0  1.0          Composition
O  0  2.11          Composition
H  0  0.22          Composition
O  0  2.568          Composition
*  0  0          * 0 0 to specify end of composition input
SameAsBeam          Geometry
0.1  0.1          Upstream and downstream thicknesses [cm]
0  10          Angle of rotation and sample width (cm)
-0.04401          Density atoms/Å^3?
0          Temperature for Placzek correction:
TRANSMISSION          Total cross section source
5.45          Tweak factor
-10.0          Top hat width (1/Å) for cleaning up Fourier Transform
0.7          Minimum radius for FT  [Å]
0.08          g(r) broadening at r = 1A [A]
0  0          0   0          to finish specifying wavelength range of resonance
0.0  1.0  0          Exponential amplitude and decay [1/A]
*  0  0          * 0 0 to specify end of exponential parameter input
1.0          Normalisation correction factor
NIMROD00053495.msubw01          Name of file containing self scattering as a function of wavelength [A]
0          Normalise to:Nothing
20.0          Maximum radius for FT [A]
0          Output units: b/atom/sr
0.05          Power for broadening function e.g. 0.5
0.03          Step size [A] 
0          Analyse this sample? 
1.0  0.0          Sample environment scattering fraction and attenuation coefficient [per A]

}

CONTAINER 2mm TiZr flat plate cell          {

1  1          Number of  files and period number
NIMROD00053329.nxs          CONTAINER 2mm TiZr flat plate cell data files
Ti  0  7.16          Composition
Zr  0  3.438          Composition
*  0  0          * 0 0 to specify end of composition input
SameAsBeam          Geometry
0.1  0.1          Upstream and downstream thicknesses [cm]
0  10          Angle of rotation and sample width (cm)
-0.0542          Density atoms/Å^3?
TRANSMISSION          Total cross section source
1.0          Tweak factor
1.0  0.0          Sample environment scattering fraction and attenuation coefficient [per A]

}

GO          

SAMPLE  O2 in MCM41 at 96-94K          {

6  1          Number of  files and period number
NIMROD00053491.nxs          SAMPLE  O2 in MCM41 at 96-94K data files
NIMROD00053492.nxs          SAMPLE  O2 in MCM41 at 96-94K data files
NIMROD00053493.nxs          SAMPLE  O2 in MCM41 at 96-94K data files
NIMROD00053494.nxs          SAMPLE  O2 in MCM41 at 96-94K data files
NIMROD00053495.nxs          SAMPLE  O2 in MCM41 at 96-94K data files
NIMROD00053496.nxs          SAMPLE  O2 in MCM41 at 96-94K data files
1          Force calculation of sample corrections?
Si  0  1.0          Sample atomic composition
O  0  2.11          Sample atomic composition
H  0  0.22          Sample atomic composition
O  0  2.963          Sample atomic composition
*  0  0          * 0 0 to specify end of composition input
SameAsBeam          Geometry
0.1  0.1          Upstream and downstream thicknesses [cm]
0  10          Angle of rotation and sample width (cm)
-0.04695          Density atoms/Å^3?
0          Temperature for sample Placzek correction
TRANSMISSION          Total cross section source
5.45          Sample tweak factor
-10.0          Top hat width (1/Å) for cleaning up Fourier Transform
0.7          Minimum radius for FT  [Å]
0.08          g(r) broadening at r = 1A [A]
0  0          0   0          to finish specifying wavelength range of resonance
0.0  1.0  0          Exponential amplitude and decay [1/A]
*  0  0          * 0 0 to specify end of exponential parameter input
1.0          Normalisation correction factor
NIMROD00053491.msubw01          Name of file containing self scattering as a function of wavelength [A]
0          Normalise to:Nothing
20.0          Maximum radius for FT [A]
0          Output units: b/atom/sr
0.05          Power for broadening function e.g. 0.5
0.03          Step size [A] 
1          Analyse this sample? 
1.0  0.0          Sample environment scattering fraction and attenuation coefficient [per A]

}

CONTAINER 2mm TiZr flat plate cell          {

1  1          Number of  files and period number
NIMROD00053329.nxs          CONTAINER 2mm TiZr flat plate cell data files
Ti  0  7.16          Composition
Zr  0  3.438          Composition
*  0  0          * 0 0 to specify end of composition input
SameAsBeam          Geometry
0.1  0.1          Upstream and downstream thicknesses [cm]
0  10          Angle of rotation and sample width (cm)
-0.0542          Density atoms/Å^3?
TRANSMISSION          Total cross section source
1.0          Tweak factor
1.0  0.0          Sample environment scattering fraction and attenuation coefficient [per A]

}

GO          


END          
1
Date and time last written:  20210305 21:30:15          
N