INFO: Using directory: "4" INFO: Using existing c-file: ./Test_PowderN.c INFO: Using existing binary: ./Test_PowderN.out WARNING: Ignoring invalid parameter: "Test_PowderN.instr" INFO: === [Test_PowderN] Initialize Opening input file '/u/data/pkwi/McXtrace/mcxtrace/3.x-dev/data/LaB6_660b_AVID2.hkl' (Table_Read_Offset) Table from file 'LaB6_660b_AVID2.hkl' (block 1) is 1453 x 6 (x=1:23), constant step. interpolation: linear '# TITLE La1 B6 [Cubic, Centric (-1 at origin)];# a b ...' PowderN: Pow: Reading 1453 rows from LaB6_660b_AVID2.hkl PowderN: Pow: Powder file probably of type Crystallographica/Fullprof (lau) WARNING: but F2 unit is set to barns=1 (barns). Intensity might be 100 times too high. PowderN: Pow: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl' PowderN: Pow: WARNING: You have requested statistics for incoherent scattering but not set a material datafile ('NULL') nor defined sigma_inc! Opening input file '/u/data/pkwi/McXtrace/mcxtrace/3.x-dev/data/LaB6_660b_AVID2.hkl' (Table_Read_Offset) Single_crystal: LaB6_660b_AVID2.hkl structure a=4.1569 b=4.1569 c=4.1569 aa=90 bb=90 cc=90 V0=71.8305 Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl' Opening input file '/u/data/pkwi/McXtrace/mcxtrace/3.x-dev/data/Si.txt' (Table_Read_Offset) Single_crystal: SX: Vc=71.8305 [Angs] sigma_inc=0 [barn] reflections=LaB6_660b_AVID2.hkl Direct space lattice orientation: a = [0 4.1569 2.54537e-16] b = [0 0 4.1569] c = [4.1569 2.54537e-16 2.54537e-16] Reciprocal space lattice orientation: a* = [-9.25531e-17 1.51151 0] b* = [-9.25531e-17 -9.25531e-17 1.51151] c* = [1.51151 0 0] *** TRACE end *** Save [Test_PowderN] Detector: Sph_mon_I=7.94635e-10 Sph_mon_ERR=2.33663e-13 Sph_mon_N=2e+07 "Sphere.dat" Detector: detector2_I=7.88424e-10 detector2_ERR=2.33416e-13 detector2_N=1.82023e+07 "psd2.dat" Detector: det_angle_I=5.84877e-14 det_angle_ERR=1.23682e-15 det_angle_N=5753 "det_angle_1732172188.th" Finally [Test_PowderN: 4]. Time: 1 [s] INFO: Placing instr file copy Test_PowderN.instr in dataset 4 INFO: Placing generated c-code copy Test_PowderN.c in dataset 4