INFO: Using directory: "1" INFO: Using existing c-file: ILL_H5_new.c INFO: Using existing binary: ILL_H5_new.exe INFO: === ILL_H5_new: ThALES: A1=38.7506 [deg] RMV=1.49348 [m] RMH=3.81195 [m] lambda=4.2 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: D16: A1=56.5716 [deg] RMV=2.44407 [m] lambda=5.6 [Angs] sample=H2O_liq.qSq ILL_H5_new: SuperADAM: A1=40.9756 [deg] RMV=2.36899 [m] lambda=4.4 [Angs] sample=SiO2_quartza.laz ILL_H5_new: WASP: nu=2972.23 [rpm] lambda=6.3 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: IN15: nu=21774.9 [rmp] lambda=6.5 [Angs] sample=Vanadium (polarized) ILL_H5_new: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq [ILL_H5_new] Initialize Source_gen: component HCS (square 0.1 x 0.1) focusing distance dist=2.155 area=0.17 x 0.12 spectra 0.500 to 9.500 AA (0.906 to 327.240 meV) T1=40.1 K (4.865 AA), T2=145.8 K (2.552 AA), T3=413.5 K (1.515 AA) Flux is dPhi/dlambda in [n/s/cm2]. Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al: Reading 26 rows from Al.laz PowderN: HCS_Al: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_4: Reading 26 rows from Al.laz PowderN: HCS_Al_4: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_4: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_5: Reading 26 rows from Al.laz PowderN: HCS_Al_5: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_5: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_6: Reading 26 rows from Al.laz PowderN: HCS_Al_6: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_6: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_7: Reading 26 rows from Al.laz PowderN: HCS_Al_7: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_7: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: H53_Al: Reading 26 rows from Al.laz PowderN: H53_Al: Read 26 reflections from file 'Al.laz' PowderN: H53_Al: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_17: Reading 26 rows from Al.laz PowderN: HCS_Al_17: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_17: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_19: Reading 26 rows from Al.laz PowderN: HCS_Al_19: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_19: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_21: Reading 26 rows from Al.laz PowderN: HCS_Al_21: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_21: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_23: Reading 26 rows from Al.laz PowderN: HCS_Al_23: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_23: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file 'C:\mcstas-3.4.49\lib/data/HOPG.rfl' (Table_Read_Offset) Opening input file 'C:\mcstas-3.4.49\lib/data/HOPG.trm' (Table_Read_Offset) Isotropic_Sqw: H53_ThALES_Sample: is a cylinder: radius=0.005000 thickness=0.000000 height=0.050000 [J Comp Phys 228 (2009) 5251] Opening input file 'C:\mcstas-3.4.49\lib/data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file 'C:\mcstas-3.4.49\lib/data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file 'C:\mcstas-3.4.49\lib/data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file 'C:\mcstas-3.4.49\lib/data/Rb_liq_coh.sqw' (Table_Read_Offset) Isotropic_Sqw: H53_ThALES_Sample: Temperature set to T=350 [K] Isotropic_Sqw: H53_ThALES_Sample: S(q,w) data from Rb_liq_coh.sqw (coh) assumed to be classical (symmetrised in energy). Isotropic_Sqw: H53_ThALES_Sample: Applying exp(hw/2kT) factor with T=350 [K] on Rb_liq_coh.sqw file (classical/symmetric) using 'Frommhold' quantum correction Isotropic_Sqw: H53_ThALES_Sample: Generated Rb_liq_coh.sqw coherent Sqw q=[0.1:10 Angs-1] w=[0:101.849 meV] |S|=0.887933 size=[101x10185] sigma=6.32 [barns] normalization factor S(q,w)*0.477012 (auto) \int q^2 S(q) dq=698.369 Isotropic_Sqw: H53_ThALES_Sample: Using Isotropic elastic incoherent scattering (sigma=0.5 [barns]) Isotropic_Sqw: H53_ThALES_Sample: Focusing can only apply for single scattering. Setting to order=1. Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_48: Reading 26 rows from Al.laz PowderN: HCS_Al_48: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_48: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_50: Reading 26 rows from Al.laz PowderN: HCS_Al_50: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_50: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_64: Reading 26 rows from Al.laz PowderN: HCS_Al_64: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_64: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_82: Reading 26 rows from Al.laz PowderN: HCS_Al_82: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_82: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_84: Reading 26 rows from Al.laz PowderN: HCS_Al_84: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_84: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_108: Reading 26 rows from Al.laz PowderN: HCS_Al_108: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_108: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_112: Reading 26 rows from Al.laz PowderN: HCS_Al_112: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_112: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Reusing input file 'HOPG.rfl' (Table_Read_Offset) Isotropic_Sqw: H521_D16_Sample: is a cylinder: radius=0.005000 thickness=0.000000 height=0.050000 [J Comp Phys 228 (2009) 5251] Opening input file 'C:\mcstas-3.4.49\lib/data/H2O_liq.qSq' (Table_Read_Offset) Opening input file 'C:\mcstas-3.4.49\lib/data/H2O_liq.qSq' (Table_Read_Offset) Isotropic_Sqw: H521_D16_Sample: Computing scattering unit density V_rho=0.0332279 [AA^-3] from density=0.994 [g/cm^3] weight=18.015 [g/mol]. Isotropic_sqw: Converting 150 S(q) from H2O_liq.qSq into S(q,w) data Isotropic_sqw: q range [0:14.8], creating 150 elements vector Isotropic_Sqw: H521_D16_Sample: Temperature set to T=293 [K] Isotropic_Sqw: H521_D16_Sample: Applying exp(hw/2kT) factor with T=293 [K] on H2O_liq.qSq file (classical/symmetric) using 'Frommhold' quantum correction Isotropic_Sqw: H521_D16_Sample: Generated H2O_liq.qSq coherent Sqw q=[0:14.8 Angs-1] w=[0:0 meV] |S|=1.49025 size=[152x1] sigma=7.751 [barns] Mainly elastic scattering. Isotropic_Sqw: H521_D16_Sample: Using Isotropic elastic incoherent scattering (sigma=160.521 [barns]) Isotropic_Sqw: H521_D16_Sample: Focusing can only apply for single scattering. Setting to order=1. Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_125: Reading 26 rows from Al.laz PowderN: HCS_Al_125: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_125: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_128: Reading 26 rows from Al.laz PowderN: HCS_Al_128: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_128: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Reusing input file 'HOPG.rfl' (Table_Read_Offset) Isotropic_Sqw: H521_SADAM_Sample: is a cylinder: radius=0.005000 thickness=0.000000 height=0.050000 [J Comp Phys 228 (2009) 5251] Opening input file 'C:\mcstas-3.4.49\lib/data/SiO2_quartza.laz' (Table_Read_Offset) Opening input file 'C:\mcstas-3.4.49\lib/data/SiO2_quartza.laz' (Table_Read_Offset) Isotropic_sqw: Converting 625 powder lines from SiO2_quartza.laz into S(q,w) data Isotropic_sqw: q range [0:12.4939], creating 25254 elements vector Isotropic_Sqw: H521_SADAM_Sample: Generated SiO2_quartza.laz coherent Sqw q=[0:12.4934 Angs-1] w=[0:0 meV] |S|=0.00187179 size=[25254x1] sigma=31.875 [barns] Mainly elastic scattering. Isotropic_Sqw: H521_SADAM_Sample: Using Isotropic elastic incoherent scattering (sigma=0.0168 [barns]) Isotropic_Sqw: H521_SADAM_Sample: Sample temperature not defined (T=0). Warning Disabling detailed balance. Isotropic_Sqw: H521_SADAM_Sample: Focusing can only apply for single scattering. Setting to order=1. Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_150: Reading 26 rows from Al.laz PowderN: HCS_Al_150: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_150: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_152: Reading 26 rows from Al.laz PowderN: HCS_Al_152: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_152: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_178: Reading 26 rows from Al.laz PowderN: HCS_Al_178: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_178: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_182: Reading 26 rows from Al.laz PowderN: HCS_Al_182: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_182: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_184: Reading 26 rows from Al.laz PowderN: HCS_Al_184: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_184: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Incoherent: H522_WASP_Sample: Vc=13.827 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_207: Reading 26 rows from Al.laz PowderN: HCS_Al_207: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_207: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_209: Reading 26 rows from Al.laz PowderN: HCS_Al_209: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_209: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_230: Reading 26 rows from Al.laz PowderN: HCS_Al_230: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_230: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_246: Reading 26 rows from Al.laz PowderN: HCS_Al_246: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_246: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_248: Reading 26 rows from Al.laz PowderN: HCS_Al_248: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_248: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_H51: Reading 26 rows from Al.laz PowderN: HCS_Al_H51: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_H51: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_265: Reading 26 rows from Al.laz PowderN: HCS_Al_265: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_265: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz PowderN: HCS_Al_267: hollow sample thickness is larger than its volume (box). WARNING Please check parameter values. Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_267: Reading 26 rows from Al.laz PowderN: HCS_Al_267: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_267: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Incoherent: H511_IN15_Sample: Vc=13.827 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_H512: Reading 26 rows from Al.laz PowderN: HCS_Al_H512: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_H512: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz PowderN: HCS_Al_299: hollow sample thickness is larger than its volume (box). WARNING Please check parameter values. Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_299: Reading 26 rows from Al.laz PowderN: HCS_Al_299: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_299: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz PowderN: HCS_Al_304: hollow sample thickness is larger than its volume (box). WARNING Please check parameter values. Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_304: Reading 26 rows from Al.laz PowderN: HCS_Al_304: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_304: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file 'C:\mcstas-3.4.49\lib/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_306: Reading 26 rows from Al.laz PowderN: HCS_Al_306: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_306: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Isotropic_Sqw: H51_D22_Sample: is a cylinder: radius=0.005000 thickness=0.000000 height=0.050000 [J Comp Phys 228 (2009) 5251] Opening input file 'C:\mcstas-3.4.49\lib/data/H2O_liq.qSq' (Table_Read_Offset) Opening input file 'C:\mcstas-3.4.49\lib/data/H2O_liq.qSq' (Table_Read_Offset) Isotropic_Sqw: H51_D22_Sample: Computing scattering unit density V_rho=0.0332279 [AA^-3] from density=0.994 [g/cm^3] weight=18.015 [g/mol]. Isotropic_sqw: Converting 150 S(q) from H2O_liq.qSq into S(q,w) data Isotropic_sqw: q range [0:14.8], creating 150 elements vector Isotropic_Sqw: H51_D22_Sample: Temperature set to T=293 [K] Isotropic_Sqw: H51_D22_Sample: Applying exp(hw/2kT) factor with T=293 [K] on H2O_liq.qSq file (classical/symmetric) using 'Frommhold' quantum correction Isotropic_Sqw: H51_D22_Sample: Generated H2O_liq.qSq coherent Sqw q=[0:14.8 Angs-1] w=[0:0 meV] |S|=1.49025 size=[152x1] sigma=7.751 [barns] Mainly elastic scattering. Isotropic_Sqw: H51_D22_Sample: Using Isotropic elastic incoherent scattering (sigma=160.521 [barns]) Isotropic_Sqw: H51_D22_Sample: Focusing can only apply for single scattering. Setting to order=1. *** TRACE end *** Save [ILL_H5_new] Detector: H5_I=1.03426e+014 H5_ERR=1.69169e+011 H5_N=775121 "H5_1718630867.x_y" Detector: H53_origin_I=1.46813e+013 H53_origin_ERR=6.33056e+010 H53_origin_N=120793 "H53_origin_1718630867.hd_vd" Detector: H52_origin_I=1.57788e+013 H52_origin_ERR=6.571e+010 H52_origin_N=129577 "H52_origin_1718630867.hd_vd" Detector: H51_origin_I=1.06002e+013 H51_origin_ERR=5.38087e+010 H51_origin_N=87788 "H51_origin_1718630867.hd_vd" Detector: H53_Obt_Out_I=4.18271e+012 H53_Obt_Out_ERR=2.85809e+010 H53_Obt_Out_N=107516 "H53_Obt_Out_1718630867.x_y" Detector: H53_ThALES_Monochromator_Cradle_I=1.89578e+012 H53_ThALES_Monochromator_Cradle_ERR=1.94886e+010 H53_ThALES_Monochromator_Cradle_N=33670 "H53_ThALES_Monochromator_Cradle_1718630867.x_y" Detector: H53_ThALES_Sample_Div_I=8.50227e+009 H53_ThALES_Sample_Div_ERR=1.56657e+009 H53_ThALES_Sample_Div_N=62 "H53_ThALES_Sample_Div_1718630867.hd_vd" Detector: H53_ThALES_Sample_XY_I=1.68845e+010 H53_ThALES_Sample_XY_ERR=2.23772e+009 H53_ThALES_Sample_XY_N=111 "H53_ThALES_Sample_XY_1718630867.x_y" Detector: H53_ThALES_Sample_L_I=1.68845e+010 H53_ThALES_Sample_L_ERR=2.23772e+009 H53_ThALES_Sample_L_N=111 "H53_ThALES_Sample_L_1718630867.L" Detector: H53_ThALES_Spectrometer_I=0 H53_ThALES_Spectrometer_ERR=0 H53_ThALES_Spectrometer_N=0 "H53_ThALES_Spectrometer_1718630868.A_E" Detector: H53_ThALES_Diffractometer_I=0 H53_ThALES_Diffractometer_ERR=0 H53_ThALES_Diffractometer_N=0 "H53_ThALES_Diffractometer_1718630868.th_y" Detector: He3H_I=0 He3H_ERR=0 He3H_N=0 "He3H.dat" Detector: H53_ThALES_TransmitXY_I=7.64177e+011 H53_ThALES_TransmitXY_ERR=1.2109e+010 H53_ThALES_TransmitXY_N=10931 "H53_ThALES_TransmitXY_1718630868.x_L" Detector: H52_Obt_Out_I=4.44483e+012 H52_Obt_Out_ERR=2.97167e+010 H52_Obt_Out_N=79473 "H52_Obt_Out_1718630868.x_y" Detector: H52_Common_Out_I=4.90549e+012 H52_Common_Out_ERR=3.07633e+010 H52_Common_Out_N=89893 "H52_Common_Out.dat" Detector: H523_origin_I=1.09379e+012 H523_origin_ERR=1.39843e+010 H523_origin_N=21183 "H523_origin_1718630868.hd_vd" Detector: H521_origin_I=1.35728e+012 H521_origin_ERR=1.65937e+010 H521_origin_N=23687 "H521_origin_1718630868.hd_vd" Detector: H522_origin_I=2.45416e+012 H522_origin_ERR=2.18056e+010 H522_origin_N=44670 "H522_origin_1718630868.hd_vd" Detector: H521_VTE_I=1.14631e+012 H521_VTE_ERR=1.42743e+010 H521_VTE_N=22029 "H521_VTE_1718630868.x_y" Detector: H521_Curved_Out_I=1.00855e+012 H521_Curved_Out_ERR=1.32548e+010 H521_Curved_Out_N=19430 "H521_Curved_Out_1718630868.x_y" Detector: H521_Straight_Out_I=9.91908e+011 H521_Straight_Out_ERR=1.30859e+010 H521_Straight_Out_N=19353 "H521_Straight_Out_1718630868.x_y" Detector: H521_D16_Monochromator_Cradle_I=7.80816e+011 H521_D16_Monochromator_Cradle_ERR=1.19235e+010 H521_D16_Monochromator_Cradle_N=14468 "H521_D16_Monochromator_Cradle_1718630868.x_y" Detector: H521_D16_Sample_Div_I=1.10751e+009 H521_D16_Sample_Div_ERR=4.68578e+008 H521_D16_Sample_Div_N=18 "H521_D16_Sample_Div_1718630868.hd_vd" Detector: H521_D16_Sample_XY_I=3.92169e+009 H521_D16_Sample_XY_ERR=9.03733e+008 H521_D16_Sample_XY_N=50 "H521_D16_Sample_XY_1718630868.x_y" Detector: H521_D16_Sample_L_I=3.92169e+009 H521_D16_Sample_L_ERR=9.03778e+008 H521_D16_Sample_L_N=49 "H521_D16_Sample_L_1718630868.L" Detector: H521_D16_Detector_I=0 H521_D16_Detector_ERR=0 H521_D16_Detector_N=0 "H521_D16_Detector_1718630868.x_y" Detector: H521_D16_Spectrometer_I=4.30719e+007 H521_D16_Spectrometer_ERR=2.6061e+007 H521_D16_Spectrometer_N=6 "H521_D16_Spectrometer_1718630868.A_E" Detector: H521_D16_Diffractometer_I=3.42869 H521_D16_Diffractometer_ERR=4.198 H521_D16_Diffractometer_N=2 "H521_D16_Diffractometer_1718630868.th_y" Detector: H521_SADAM_Monochromator_Cradle_I=8.69525e+011 H521_SADAM_Monochromator_Cradle_ERR=1.30807e+010 H521_SADAM_Monochromator_Cradle_N=14761 "H521_SADAM_Monochromator_Cradle_1718630868.x_y" Detector: H521_SADAM_Sample_Div_I=2.60147e+009 H521_SADAM_Sample_Div_ERR=9.08906e+008 H521_SADAM_Sample_Div_N=14 "H521_SADAM_Sample_Div_1718630868.hd_vd" Detector: H521_SADAM_Sample_XY_I=5.17946e+009 H521_SADAM_Sample_XY_ERR=1.23298e+009 H521_SADAM_Sample_XY_N=44 "H521_SADAM_Sample_XY_1718630868.x_y" Detector: H521_SADAM_Sample_L_I=5.17946e+009 H521_SADAM_Sample_L_ERR=1.23298e+009 H521_SADAM_Sample_L_N=44 "H521_SADAM_Sample_L_1718630868.L" Detector: H521_SADAM_Detector_I=0 H521_SADAM_Detector_ERR=0 H521_SADAM_Detector_N=0 "H521_SADAM_Detector_1718630870.x_y" Detector: H521_SADAM_Spectrometer_I=0 H521_SADAM_Spectrometer_ERR=0 H521_SADAM_Spectrometer_N=0 "H521_SADAM_Spectrometer_1718630870.A_E" Detector: H521_SADAM_Diffractometer_I=0 H521_SADAM_Diffractometer_ERR=0 H521_SADAM_Diffractometer_N=0 "H521_SADAM_Diffractometer_1718630870.th_y" Detector: H522_VTE_I=2.18903e+012 H522_VTE_ERR=2.0189e+010 H522_VTE_N=41793 "H522_VTE_1718630870.x_y" Detector: H522_Curved_Out_XY_I=1.89149e+012 H522_Curved_Out_XY_ERR=1.84093e+010 H522_Curved_Out_XY_N=37088 "H522_Curved_Out_XY_1718630870.x_y" Detector: H522_Curved_Out_XL_I=1.89115e+012 H522_Curved_Out_XL_ERR=1.84081e+010 H522_Curved_Out_XL_N=37030 "H522_Curved_Out_XL_1718630870.x_L" Detector: H522_Vsel_L_I=6.90175e+010 H522_Vsel_L_ERR=1.51531e+009 H522_Vsel_L_N=5798 "H522_Vsel_L_1718630870.L" Detector: H522_mirror_ReflectXY_I=1.89696e+010 H522_mirror_ReflectXY_ERR=5.99081e+008 H522_mirror_ReflectXY_N=1911 "H522_mirror_ReflectXY.dat" Detector: H522_mirror_TransmitXY_I=1.83781e+010 H522_mirror_TransmitXY_ERR=2.38021e+009 H522_mirror_TransmitXY_N=106 "H522_mirror_TransmitXY.dat" Detector: H522_mirror_outdXY_I=1.89696e+010 H522_mirror_outdXY_ERR=5.99081e+008 H522_mirror_outdXY_N=1911 "H522_mirror_outdXY_1718630870.hd_vd" Detector: H522_WASP_Sample_Div_I=1.10594e+008 H522_WASP_Sample_Div_ERR=5.1448e+007 H522_WASP_Sample_Div_N=14 "H522_WASP_Sample_Div_1718630870.hd_vd" Detector: H522_WASP_Sample_XY_I=1.10594e+008 H522_WASP_Sample_XY_ERR=5.1448e+007 H522_WASP_Sample_XY_N=14 "H522_WASP_Sample_XY_1718630870.x_y" Detector: H522_WASP_Sample_L_I=1.10594e+008 H522_WASP_Sample_L_ERR=5.1448e+007 H522_WASP_Sample_L_N=14 "H522_WASP_Sample_L_1718630870.L" Detector: H522_WASP_Detector_I=4472.59 H522_WASP_Detector_ERR=4472.59 H522_WASP_Detector_N=1 "H522_WASP_Detector_1718630870.x_y" Detector: H522_WASP_Spectrometer_I=42013.1 H522_WASP_Spectrometer_ERR=41935.7 H522_WASP_Spectrometer_N=4 "H522_WASP_Spectrometer_1718630870.A_E" Detector: H522_WASP_Diffractometer_I=42012.8 H522_WASP_Diffractometer_ERR=43008.5 H522_WASP_Diffractometer_N=3 "H522_WASP_Diffractometer_1718630870.th_y" Detector: H523_VTE_I=5.25993e+011 H523_VTE_ERR=7.81305e+009 H523_VTE_N=19215 "H523_VTE_1718630870.x_y" Detector: H523_CryoEDM_In_L_I=2.86974e+011 H523_CryoEDM_In_L_ERR=4.81991e+009 H523_CryoEDM_In_L_N=15746 "H523_CryoEDM_In_L_1718630870.L" Detector: H523_CryoEDM_mirror_ReflectXY_I=1.25076e+010 H523_CryoEDM_mirror_ReflectXY_ERR=4.4338e+008 H523_CryoEDM_mirror_ReflectXY_N=2754 "H523_CryoEDM_mirror_ReflectXY.dat" Detector: H523_CryoEDM_mirror_TransmitXY_I=6.36087e+010 H523_CryoEDM_mirror_TransmitXY_ERR=1.13771e+010 H523_CryoEDM_mirror_TransmitXY_N=153 "H523_CryoEDM_mirror_TransmitXY.dat" Detector: H523_CryoEDM_Sample_L_I=1.91171e+010 H523_CryoEDM_Sample_L_ERR=5.30643e+008 H523_CryoEDM_Sample_L_N=4711 "H523_CryoEDM_Sample_L_1718630870.L" Detector: H523_CryoEDM_Sample_Div_I=1.89907e+010 H523_CryoEDM_Sample_Div_ERR=5.29392e+008 H523_CryoEDM_Sample_Div_N=4580 "H523_CryoEDM_Sample_Div_1718630870.hd_vd" Detector: H523_CryoEDM_Sample_XY_I=1.91171e+010 H523_CryoEDM_Sample_XY_ERR=5.30643e+008 H523_CryoEDM_Sample_XY_N=4711 "H523_CryoEDM_Sample_XY_1718630870.x_y" Detector: H51_Obt_Out_I=1.0058e+012 H51_Obt_Out_ERR=1.4677e+010 H51_Obt_Out_N=46927 "H51_Obt_Out_1718630870.x_y" Detector: H51_S2_Out_I=6.9128e+011 H51_S2_Out_ERR=1.20035e+010 H51_S2_Out_N=39089 "H51_S2_Out_1718630870.x_y" Detector: H51_split_2_I=3.12631e+011 H51_split_2_ERR=7.94772e+009 H51_split_2_N=17934 "H51_split_2_1718630870.x_y" Detector: H51_split_1_I=3.24763e+011 H51_split_1_ERR=8.29876e+009 H51_split_1_N=17986 "H51_split_1_1718630870.x_y" Detector: H511_mirror_ReflectXY_I=3.31375e+010 H511_mirror_ReflectXY_ERR=9.17454e+008 H511_mirror_ReflectXY_N=5915 "H511_mirror_ReflectXY.dat" Detector: H511_mirror_TransmitXY_I=1.41064e+011 H511_mirror_TransmitXY_ERR=2.49773e+010 H511_mirror_TransmitXY_N=306 "H511_mirror_TransmitXY.dat" Detector: H511_mirror_outdXY_I=3.31375e+010 H511_mirror_outdXY_ERR=9.17454e+008 H511_mirror_outdXY_N=5915 "H511_mirror_outdXY_1718630870.hd_vd" Detector: H511_VTE_I=2.52004e+010 H511_VTE_ERR=8.20212e+008 H511_VTE_N=5957 "H511_VTE_1718630870.x_y" Detector: H511_IN15_Sample_Div_I=3.71823e+008 H511_IN15_Sample_Div_ERR=5.18599e+007 H511_IN15_Sample_Div_N=107 "H511_IN15_Sample_Div_1718630870.hd_vd" Detector: H511_IN15_Sample_XY_I=3.71823e+008 H511_IN15_Sample_XY_ERR=5.18597e+007 H511_IN15_Sample_XY_N=109 "H511_IN15_Sample_XY_1718630870.x_y" Detector: H511_IN15_Sample_L_I=3.71823e+008 H511_IN15_Sample_L_ERR=5.18597e+007 H511_IN15_Sample_L_N=109 "H511_IN15_Sample_L_1718630870.L" Detector: H511_IN15_Detector_I=0 H511_IN15_Detector_ERR=0 H511_IN15_Detector_N=0 "H511_IN15_Detector_1718630870.x_y" Detector: H511_IN15_Spectrometer_I=1.99638e+006 H511_IN15_Spectrometer_ERR=443861 H511_IN15_Spectrometer_N=57 "H511_IN15_Spectrometer_1718630870.A_E" Detector: H511_IN15_Diffractometer_I=1.0344e+006 H511_IN15_Diffractometer_ERR=338068 H511_IN15_Diffractometer_N=25 "H511_IN15_Diffractometer_1718630870.th_y" Detector: H512_VTE_I=1.71627e+011 H512_VTE_ERR=4.98802e+009 H512_VTE_N=16666 "H512_VTE_1718630870.x_y" Detector: D22_PreV_I=1.45896e+011 D22_PreV_ERR=4.98702e+009 D22_PreV_N=11714 "D22_PreV_1718630870.x_y" Detector: H51_D22_Sample_Div_I=4.83237e+009 H51_D22_Sample_Div_ERR=6.87663e+008 H51_D22_Sample_Div_N=148 "H51_D22_Sample_Div_1718630870.hd_vd" Detector: H51_D22_Sample_XY_I=4.83237e+009 H51_D22_Sample_XY_ERR=6.87663e+008 H51_D22_Sample_XY_N=148 "H51_D22_Sample_XY_1718630870.x_y" Detector: H51_D22_Sample_L_I=4.83237e+009 H51_D22_Sample_L_ERR=6.87663e+008 H51_D22_Sample_L_N=148 "H51_D22_Sample_L_1718630870.L" Detector: D22_Detector_I=4.00495e+007 D22_Detector_ERR=2.62488e+007 D22_Detector_N=9 "D22_Detector_1718630870.x_y" Finally [ILL_H5_new: 1]. Time: 9 [s] Isotropic_Sqw: H521_D16_Sample: Scattering fraction=0.94839 of incoming intensity Absorption fraction =0.0121824 Single scattering intensity =4.30719e+007 (coh=1.43415e+007 inc=2.87304e+007) Multiple scattering intensity =0 Isotropic_Sqw: H51_D22_Sample: Scattering fraction=0.975049 of incoming intensity Absorption fraction =0.00979066 Single scattering intensity =5.05661e+008 (coh=1.26913e+007 inc=4.92969e+008) Multiple scattering intensity =0 Component: H53_Nose (Guide_tapering) Height at the guide exit (h2): 0.120000 Component: H53_Nose (Guide_tapering) Width at the guide exit (w2): 0.030552 INFO: Placing instr file copy C:\\Users\\pkwi\\mcstas-test\\20240617_1415_53\\mcstas-3.4.49_singlecore_Windows\\ILL_H5_new\\ILL_H5_new.instr in dataset 1