INFO: Using directory: "1" INFO: Using existing c-file: ./templateNMX.c INFO: Using existing binary: ./templateNMX.out WARNING: Ignoring invalid parameter: "templateNMX" INFO: === [templateNMX] Initialize Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Rubredoxin.lau' (Table_Read_Offset) Mode: lengths and angles Single_crystal: Rubredoxin.lau structure a=33.92 b=34.928 c=43.532 aa=90 bb=90 cc=90 V0=51574.9 Single_crystal: sample: Read 124956 reflections from file 'Rubredoxin.lau' Single_crystal: sample: Vc=51574.9 [Angs] sigma_abs=245.31 [barn] sigma_inc=817.57 [barn] reflections=Rubredoxin.lau Direct space lattice orientation: a = [0 34.928 2.13872e-15] b = [0 0 33.92] c = [43.532 2.66557e-15 2.66557e-15] Reciprocal space lattice orientation: a* = [-1.10151e-17 0.17989 0] b* = [-1.13424e-17 -1.13424e-17 0.185235] c* = [0.144335 0 0] *** TRACE end *** Save [templateNMX] Detector: det_I=5577.01 det_ERR=2.18541 det_N=6.76068e+06 "psd.dat" Finally [templateNMX: 1]. Time: 4.56667 [min] INFO: Placing instr file copy templateNMX.instr in dataset 1 INFO: Placing generated c-code copy templateNMX.c in dataset 1