diff --git a/mcxtrace-comps/examples/SSRL/SSRL_bl_11_2_not_white_src/SSRL_bl_11_2_not_white_src.instr b/mcxtrace-comps/examples/SSRL/SSRL_bl_11_2_not_white_src/SSRL_bl_11_2_not_white_src.instr index 88fc158472..1de1ac9318 100644 --- a/mcxtrace-comps/examples/SSRL/SSRL_bl_11_2_not_white_src/SSRL_bl_11_2_not_white_src.instr +++ b/mcxtrace-comps/examples/SSRL/SSRL_bl_11_2_not_white_src/SSRL_bl_11_2_not_white_src.instr @@ -20,12 +20,12 @@ * A jupyter notebook will soon be available regrouping everything. * You may scan like so for example: * %Scan: mxrun SSRL_bl_11_2_not_white_src.instr -N31 Etohit=6900,7500 -n1e6 Detector: EnergyMonitor_first_I={ -* 13328900000.0,13634200000.0,14541900000.0,13884900000.0,13898100000.0,13682000000.0,13694000000.0,14507100000.0, -* 13206900000.0,13610500000.0,13946900000.0,15010800000.0,14594000000.0,15530700000.0,14609000000.0,13841600000.0, -* 14696400000.0,14927300000.0,15831200000.0,15905500000.0,16147000000.0,16044900000.0,16097800000.0,15847300000.0, -* 15588300000.0,16880100000.0,16423800000.0,18149700000.0,17975600000.0,17924000000.0,18274500000.0 } +* 4.15283e+11,4.17392e+11,4.14761e+11,4.23379e+11,3.93893e+11,4.24456e+11,4.29582e+11,4.28066e+11, +* 3.79748e+11,3.61699e+11,4.34572e+11,4.42236e+11,4.41343e+11,4.49551e+11,4.23516e+11,3.22482e+11, +* 4.51675e+11,4.52176e+11,4.55269e+11,4.57613e+11,4.60047e+11,4.62858e+11,4.63228e+11,4.65942e+11, +* 3.43853e+11,4.48835e+11,4.73898e+11,4.73046e+11,4.74146e+11,4.79029e+11,4.89455e+11 } * -* Example: Etohit=6900 Detector: EnergyMonitor_first_I=1.3e+10 +* Example: Etohit=6900 Detector: EnergyMonitor_first_I=4.17271e+11 * * %Parameters * Etohit: [eV.] Energy used to calculate the bragg angle the monochromator is put at. This is the energy we select. diff --git a/mcxtrace-comps/examples/SSRL/SSRL_bl_11_2_white_src/SSRL_bl_11_2_white_src.instr b/mcxtrace-comps/examples/SSRL/SSRL_bl_11_2_white_src/SSRL_bl_11_2_white_src.instr index 7faea4ec76..c470fb50ee 100644 --- a/mcxtrace-comps/examples/SSRL/SSRL_bl_11_2_white_src/SSRL_bl_11_2_white_src.instr +++ b/mcxtrace-comps/examples/SSRL/SSRL_bl_11_2_white_src/SSRL_bl_11_2_white_src.instr @@ -19,12 +19,12 @@ * A jupyter notebook will soon be available regrouping everything. * You may scan like so for example: * %Scan: mxrun SSRL_bl_11_2_white_src.instr -N31 Etohit=6900,7500 detuning_percentage=40 -n1e7 Detector: EnergyMonitor_first_I={ -* 9.6608e+06,9.36768e+06,8.8759e+06,8.45813e+06,8.60571e+06,2.19181e+07,2.5781e+07,2.47468e+07, -* 2.33347e+07,2.36432e+07,2.44606e+07,2.54374e+07,2.50395e+07,2.47904e+07,2.48351e+07,2.48054e+07, -* 2.25687e+07,2.16413e+07,2.15756e+07,2.08025e+07,2.13743e+07,2.14039e+07,2.09034e+07,1.55632e+07, -* 1.75271e+07,1.73956e+07,1.73963e+07,1.72547e+07,1.72151e+07,1.74949e+07,1.71321e+07 } +* 3.53209e+09,3.14111e+09,2.29489e+09,2.09782e+09,2.60157e+09,5.02242e+09,6.82888e+09,5.70155e+09, +* 3.63909e+09,3.66976e+09,4.55549e+09,6.4332e+09,6.3975e+09,5.51199e+09,5.81204e+09,5.14268e+09, +* 5.31883e+09,4.70285e+09,4.76321e+09,4.07989e+09,4.65539e+09,4.37134e+09,4.14511e+09,2.04488e+09, +* 4.0761e+09,3.5035e+09,4.15753e+09,3.83112e+09,3.74015e+09,3.70074e+09,3.86447e+09 } * -* %Example: Etohit=6900 Detector: EnergyMonitor_first_I=4.24366e+07 +* %Example: Etohit=6900 Detector: EnergyMonitor_first_I=1.65837e+10 * * %Parameters * Etohit: [eV.] Energy used to calculate the bragg angle the monochromator is put at. This is the energy we select. diff --git a/mcxtrace-comps/examples/Tests_samples/Test_FluoPowder/Test_FluoPowder.instr b/mcxtrace-comps/examples/Tests_samples/Test_FluoPowder/Test_FluoPowder.instr index f30086a930..713bf2a647 100644 --- a/mcxtrace-comps/examples/Tests_samples/Test_FluoPowder/Test_FluoPowder.instr +++ b/mcxtrace-comps/examples/Tests_samples/Test_FluoPowder/Test_FluoPowder.instr @@ -24,7 +24,8 @@ * - index=5: use Fluorescence+PowderN (exact) * * %Example: Test_FluoPowder.instr E0=15 index=1 Detector: Sph_mon_pow_I=1.77806e-19 -* Example: Test_FluoPowder.instr E0=15 index=2 Detector: Sph_mon_pow_I=1.5129e-19 +* Example: Test_FluoPowder.instr E0=15 index=2 Detector: Sph_mon_pow_I=1.99226e-19 +* (Unittest disabled for Single_crystal SX, fails consistently on Windows, possibly cif2hkl UB) * %Example: Test_FluoPowder.instr E0=15 index=3 Detector: Sph_mon_pow_I=1.77226e-19 * %Example: Test_FluoPowder.instr E0=15 index=4 Detector: Sph_mon_flu_I=6.18074e-19 * Example: Test_FluoPowder.instr E0=15 index=5 Detector: Sph_mon_pow_I=1.77403e-19 diff --git a/mcxtrace-comps/examples/Tests_samples/Test_PowderN/Test_PowderN.instr b/mcxtrace-comps/examples/Tests_samples/Test_PowderN/Test_PowderN.instr index f6c767250a..dc8d807d63 100644 --- a/mcxtrace-comps/examples/Tests_samples/Test_PowderN/Test_PowderN.instr +++ b/mcxtrace-comps/examples/Tests_samples/Test_PowderN/Test_PowderN.instr @@ -18,7 +18,8 @@ * Alternatively, the Single_crystal (powder mode) and FluoPowder components can also be tested. * * %Example: index=1 Detector: Sph_mon_I=1.29869e-12 -* Example: index=2 Detector: Sph_mon_I=3.88313e-14 +* Example: index=2 Detector: Sph_mon_I=1.91726e-12 +* (Unittest disabled for Single_crystal powder-mode, numerically unstable on GPU) * %Example: index=3 Detector: Sph_mon_I=6.29534e-12 * * (Unittest disabled for Single_crystal powder-mode, numerically unstable on GPU) diff --git a/mcxtrace-comps/samples/Single_crystal.comp b/mcxtrace-comps/samples/Single_crystal.comp index afbf0ad998..14ab7b69d8 100644 --- a/mcxtrace-comps/samples/Single_crystal.comp +++ b/mcxtrace-comps/samples/Single_crystal.comp @@ -1543,15 +1543,15 @@ TRACE abs_xsect = 0; if (abs_info.muc) { double mu = Table_Value (abs_info.table, ki * K2E, abs_info.muc); - abs_xsect = (abs_info.atomic_weight / (6.02214076 * 10E23)) * mu; // this is in cm^2 + abs_xsect = (abs_info.atomic_weight / (6.02214076 * 1E23)) * mu; // this is in cm^2 // atomic weight = [g . mol^-1] // Avogadro number = [mol^-1] // mu = [cm squared . g⁻1] // therefore convert to barns if barns set to 1, otherwise to fm^2 if (hkl_info.flag_barns) { // convert cm^2 into barns - abs_xsect *= 10E26; + abs_xsect *= 1E24; } else { // convert cm^2 into fm^2, else we assume fm^2 - abs_xsect *= 10E24; + abs_xsect *= 1E26; } } V0 = hkl_info.V0;