icol_spec sigma_instr backgr_gap spectr file spectrum 2 0.00 0.0 XASR XMCD_4AuRLgraz # exp spectrum 1 to be fitted model 0.50 i_XMCD_g # scale INPUT_model prototype 1 model 0.50 i_XMCD_g4c # scale INPUT_model prototype 2 spectrum 3 0.00 0.0 XASL XMCD_4AuRLgraz # exp spectrum 2 to be fitted, appearing in column 3 of the file model 0.50 i_XMCD_g model 0.50 i_XMCD_g4c spectrum 3 0.00 0. XAS XLD_4AuHV # exp spectrum 3 to be fitted model 0.50 i_XMLD model 0.50 i_XMLD_4c spectrum 2 0.00 0. XAS2 XLD_4AuHV # exp spectrum 4 to be fitted model 0.50 i_XMLD # XAS2 refers to the second XAS spectrum of the XMLD model model 0.50 i_XMLD_4c p pmin pminb pmax pmaxb pminb pmaxb define hard bounds variable elel 0.736 0.400 0.300 1.100 1.300 variable so-c 0.955 0.600 0.500 1.200 1.300 variable core 0.175 0.100 0.000 0.500 0.600 variable dcor 0.574 0.001 0.000 0.650 0.800 variable wmin 775.053 774.000 770.000 779.000 780.000 variable wdif 4.437 0.500 0.000 35.000 37.000 variable thre 5.612 5.000 0.000 7.250 20.000 variable qpor -0.941 -2.120 -4.500 3.000 4.500 variable dist 1.057 0.750 0.700 1.950 2.050 variable qppi -1.428 -4.000 -4.500 3.000 3.500 variable disp 1.146 0.800 0.700 1.945 2.050 variable disv 1.244 0.500 0.000 1.500 2.000 constant warp 0.000 0.000 -0.100 1.000 3.000 variable elec 0.774 0.500 0.300 1.100 1.300 variable socc 0.917 0.600 0.500 1.200 1.300 variable corc 0.147 0.100 0.000 0.450 0.600 variable dcoc 0.448 0.010 0.000 0.600 0.700 variable wmic 775.540 774.000 770.000 778.000 779.000 variable wdic 2.764 0.500 0.000 35.000 37.000 variable thrc -4 5.000 0.000 7.000 20.000 for illustration: do scan from min to max: 4 intervals = 5 steps, before optimizing variable qsuc -4.499 -6.000 -7.000 4.000 5.000 be careful with multidimensional scans, it may take more steps than optimization constant dsuc -3.000 1.500 1.000 5.000 6.000 variable qhbc 2.436 -4.000 -5.000 4.000 5.000 variable disc 1.900 0.950 0.700 2.500 3.500