1 | from mantid.simpleapi import * |
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2 | import math |
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3 | import sys |
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4 | |
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5 | #=================== helper functions =============================== |
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6 | |
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7 | def create_cuboid_xml(xlength,ylength,zlength): |
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8 | xml = """<cuboid id="sample0"> |
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9 | <left-front-bottom-point x="%(xpt)f" y="-%(ypt)f" z="-%(zpt)f" /> |
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10 | <left-front-top-point x="%(xpt)f" y="-%(ypt)f" z="%(zpt)f" /> |
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11 | <left-back-bottom-point x="-%(xpt)f" y="-%(ypt)f" z="-%(zpt)f" /> |
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12 | <right-front-bottom-point x="%(xpt)f" y="%(ypt)f" z="-%(zpt)f" /> |
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13 | </cuboid> |
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14 | <algebra val="sample0" /> |
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15 | """ |
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16 | return xml % {"xpt": xlength/2.0,"ypt":ylength/2.0,"zpt":zlength/2.0} |
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17 | |
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18 | def plot_slice(in_ws, out_ws): |
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19 | BinMD(InputWorkspace=in_ws, OutputWorkspace=out_ws, |
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20 | AlignedDim0='[H,0,0], -12.000000, 9.000000, 100', |
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21 | AlignedDim1='[0,K,0], -6.000000, 7.000000, 100', |
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22 | AlignedDim2='[0,0,L], 0.000000, 6.000000, 1', |
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23 | AlignedDim3='DeltaE, 100.000000, 150.000000, 1') |
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24 | plotSlice(out_ws,colormax=180,normalization=0) |
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25 | |
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26 | #=============================== |
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27 | |
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28 | #Load the equivalent SQW files: |
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29 | data_dir = '/data/Software/VATES_testing/Sr122_tests/' |
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30 | #LoadSQW(Filename=data_dir + 'sr122_minimal_mantid_check_mantidpar.sqw',OutputWorkspace='sr122_tobyfit_mt') |
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31 | LoadSQW(Filename=data_dir + 'sr122_tobyfit_moderator.sqw',OutputWorkspace='sr122_tobyfit_moderator') |
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32 | LoadSQW(Filename=data_dir + 'sr122_tobyfit_aperture.sqw',OutputWorkspace='sr122_tobyfit_aperture') |
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33 | LoadSQW(Filename=data_dir + 'sr122_tobyfit_chopper.sqw',OutputWorkspace='sr122_tobyfit_chopper') |
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34 | LoadSQW(Filename=data_dir + 'sr122_tobyfit_jitter.sqw',OutputWorkspace='sr122_tobyfit_jitter') |
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35 | LoadSQW(Filename=data_dir + 'sr122_tobyfit_volume.sqw',OutputWorkspace='sr122_tobyfit_volume') |
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36 | LoadSQW(Filename=data_dir + 'sr122_tobyfit_area.sqw',OutputWorkspace='sr122_tobyfit_area') |
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37 | LoadSQW(Filename=data_dir + 'sr122_tobyfit_depth.sqw',OutputWorkspace='sr122_tobyfit_depth') |
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38 | LoadSQW(Filename=data_dir + 'sr122_tobyfit_time.sqw',OutputWorkspace='sr122_tobyfit_time') |
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39 | LoadSQW(Filename=data_dir + 'sr122_tobyfit_mosaic.sqw',OutputWorkspace='sr122_tobyfit_mosaic') |
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40 | LoadSQW(Filename=data_dir + 'sr122_tobyfit_all.sqw',OutputWorkspace='sr122_tobyfit_all') |
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41 | |
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42 | |
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43 | #Want to work through the sqw/tobyfit and mantid simulations to compare for each resolution component: |
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44 | |
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45 | #BinMD(InputWorkspace="sr122_tobyfit_mt", OutputWorkspace="sr122_tobyfit_mt_cut", |
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46 | # AlignedDim0=r'qx, 1, 1.3, 1', |
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47 | # AlignedDim1=r'qy, -1, 1, 41', |
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48 | # AlignedDim2=r'qz, -100, 100, 1', |
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49 | # AlignedDim3='en, 65, 75, 1') |
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50 | |
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51 | BinMD(InputWorkspace="sr122_tobyfit_moderator", OutputWorkspace="sr122_tobyfit_moderator_cut", |
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52 | AlignedDim0=r'qx, 1, 1.3, 1', |
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53 | AlignedDim1=r'qy, -1, 1, 41', |
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54 | AlignedDim2=r'qz, -100, 100, 1', |
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55 | AlignedDim3='en, 65, 75, 1') |
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56 | |
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57 | BinMD(InputWorkspace="sr122_tobyfit_aperture", OutputWorkspace="sr122_tobyfit_aperture_cut", |
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58 | AlignedDim0=r'qx, 1, 1.3, 1', |
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59 | AlignedDim1=r'qy, -1, 1, 41', |
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60 | AlignedDim2=r'qz, -100, 100, 1', |
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61 | AlignedDim3='en, 65, 75, 1') |
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62 | |
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63 | BinMD(InputWorkspace="sr122_tobyfit_chopper", OutputWorkspace="sr122_tobyfit_chopper_cut", |
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64 | AlignedDim0=r'qx, 1, 1.3, 1', |
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65 | AlignedDim1=r'qy, -1, 1, 41', |
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66 | AlignedDim2=r'qz, -100, 100, 1', |
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67 | AlignedDim3='en, 65, 75, 1') |
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68 | |
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69 | BinMD(InputWorkspace="sr122_tobyfit_jitter", OutputWorkspace="sr122_tobyfit_jitter_cut", |
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70 | AlignedDim0=r'qx, 1, 1.3, 1', |
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71 | AlignedDim1=r'qy, -1, 1, 41', |
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72 | AlignedDim2=r'qz, -100, 100, 1', |
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73 | AlignedDim3='en, 65, 75, 1') |
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74 | |
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75 | BinMD(InputWorkspace="sr122_tobyfit_volume", OutputWorkspace="sr122_tobyfit_volume_cut", |
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76 | AlignedDim0=r'qx, 1, 1.3, 1', |
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77 | AlignedDim1=r'qy, -1, 1, 41', |
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78 | AlignedDim2=r'qz, -100, 100, 1', |
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79 | AlignedDim3='en, 65, 75, 1') |
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80 | |
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81 | BinMD(InputWorkspace="sr122_tobyfit_area", OutputWorkspace="sr122_tobyfit_area_cut", |
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82 | AlignedDim0=r'qx, 1, 1.3, 1', |
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83 | AlignedDim1=r'qy, -1, 1, 41', |
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84 | AlignedDim2=r'qz, -100, 100, 1', |
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85 | AlignedDim3='en, 65, 75, 1') |
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86 | |
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87 | BinMD(InputWorkspace="sr122_tobyfit_depth", OutputWorkspace="sr122_tobyfit_depth_cut", |
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88 | AlignedDim0=r'qx, 1, 1.3, 1', |
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89 | AlignedDim1=r'qy, -1, 1, 41', |
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90 | AlignedDim2=r'qz, -100, 100, 1', |
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91 | AlignedDim3='en, 65, 75, 1') |
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92 | |
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93 | BinMD(InputWorkspace="sr122_tobyfit_time", OutputWorkspace="sr122_tobyfit_time_cut", |
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94 | AlignedDim0=r'qx, 1, 1.3, 1', |
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95 | AlignedDim1=r'qy, -1, 1, 41', |
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96 | AlignedDim2=r'qz, -100, 100, 1', |
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97 | AlignedDim3='en, 65, 75, 1') |
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98 | |
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99 | BinMD(InputWorkspace="sr122_tobyfit_mosaic", OutputWorkspace="sr122_tobyfit_mosaic_cut", |
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100 | AlignedDim0=r'qx, 1, 1.3, 1', |
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101 | AlignedDim1=r'qy, -1, 1, 41', |
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102 | AlignedDim2=r'qz, -100, 100, 1', |
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103 | AlignedDim3='en, 65, 75, 1') |
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104 | |
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105 | BinMD(InputWorkspace="sr122_tobyfit_all", OutputWorkspace="sr122_tobyfit_all_cut", |
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106 | AlignedDim0=r'qx, 1, 1.3, 1', |
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107 | AlignedDim1=r'qy, -1, 1, 41', |
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108 | AlignedDim2=r'qz, -100, 100, 1', |
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109 | AlignedDim3='en, 65, 75, 1') |
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110 | |
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111 | ############### |
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112 | #Mantid equivalents: |
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113 | |
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114 | BinMD(InputWorkspace="simulated_mod", OutputWorkspace="simulated_mod_cut", |
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115 | AlignedDim0='[H,0,0], 1, 1.3, 1', |
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116 | AlignedDim1='[0,K,0], -1, 1, 41', |
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117 | AlignedDim2='[0,0,L], -100, 100, 1', |
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118 | AlignedDim3='DeltaE, 65, 75.000000, 1') |
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119 | |
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120 | BinMD(InputWorkspace="simulated_aperture", OutputWorkspace="simulated_aperture_cut", |
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121 | AlignedDim0='[H,0,0], 1, 1.3, 1', |
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122 | AlignedDim1='[0,K,0], -1, 1, 41', |
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123 | AlignedDim2='[0,0,L], -100, 100, 1', |
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124 | AlignedDim3='DeltaE, 65, 75.000000, 1') |
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125 | |
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126 | BinMD(InputWorkspace="simulated_chopper", OutputWorkspace="simulated_chopper_cut", |
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127 | AlignedDim0='[H,0,0], 1, 1.3, 1', |
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128 | AlignedDim1='[0,K,0], -1, 1, 41', |
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129 | AlignedDim2='[0,0,L], -100, 100, 1', |
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130 | AlignedDim3='DeltaE, 65, 75.000000, 1') |
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131 | |
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132 | BinMD(InputWorkspace="simulated_jitter", OutputWorkspace="simulated_jitter_cut", |
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133 | AlignedDim0='[H,0,0], 1, 1.3, 1', |
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134 | AlignedDim1='[0,K,0], -1, 1, 41', |
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135 | AlignedDim2='[0,0,L], -100, 100, 1', |
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136 | AlignedDim3='DeltaE, 65, 75.000000, 1') |
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137 | |
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138 | BinMD(InputWorkspace="simulated_vol", OutputWorkspace="simulated_vol_cut", |
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139 | AlignedDim0='[H,0,0], 1, 1.3, 1', |
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140 | AlignedDim1='[0,K,0], -1, 1, 41', |
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141 | AlignedDim2='[0,0,L], -100, 100, 1', |
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142 | AlignedDim3='DeltaE, 65, 75.000000, 1') |
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143 | |
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144 | BinMD(InputWorkspace="simulated_area", OutputWorkspace="simulated_area_cut", |
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145 | AlignedDim0='[H,0,0], 1, 1.3, 1', |
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146 | AlignedDim1='[0,K,0], -1, 1, 41', |
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147 | AlignedDim2='[0,0,L], -100, 100, 1', |
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148 | AlignedDim3='DeltaE, 65, 75.000000, 1') |
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149 | |
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150 | BinMD(InputWorkspace="simulated_depth", OutputWorkspace="simulated_depth_cut", |
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151 | AlignedDim0='[H,0,0], 1, 1.3, 1', |
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152 | AlignedDim1='[0,K,0], -1, 1, 41', |
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153 | AlignedDim2='[0,0,L], -100, 100, 1', |
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154 | AlignedDim3='DeltaE, 65, 75.000000, 1') |
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155 | |
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156 | BinMD(InputWorkspace="simulated_time", OutputWorkspace="simulated_time_cut", |
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157 | AlignedDim0='[H,0,0], 1, 1.3, 1', |
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158 | AlignedDim1='[0,K,0], -1, 1, 41', |
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159 | AlignedDim2='[0,0,L], -100, 100, 1', |
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160 | AlignedDim3='DeltaE, 65, 75.000000, 1') |
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161 | |
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162 | BinMD(InputWorkspace="simulated_mosaic", OutputWorkspace="simulated_mosaic_cut", |
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163 | AlignedDim0='[H,0,0], 1, 1.3, 1', |
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164 | AlignedDim1='[0,K,0], -1, 1, 41', |
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165 | AlignedDim2='[0,0,L], -100, 100, 1', |
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166 | AlignedDim3='DeltaE, 65, 75.000000, 1') |
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167 | |
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168 | ##### |
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169 | #Plot comparisons |
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170 | |
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171 | all_table=QueryMDWorkspace('sr122_tobyfit_all_cut') |
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172 | all_sim=ConvertTableToMatrixWorkspace('all_table',ColumnX='qy/A^-1',ColumnY='Signal/none') |
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173 | |
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174 | mod_table=QueryMDWorkspace('sr122_tobyfit_moderator_cut') |
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175 | mod_sim=ConvertTableToMatrixWorkspace('mod_table',ColumnX='qy/A^-1',ColumnY='Signal/none') |
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176 | |
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177 | chop_table=QueryMDWorkspace('sr122_tobyfit_chopper_cut') |
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178 | chop_sim=ConvertTableToMatrixWorkspace('chop_table',ColumnX='qy/A^-1',ColumnY='Signal/none') |
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179 | |
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180 | aperture_table=QueryMDWorkspace('sr122_tobyfit_aperture_cut') |
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181 | aperture_sim=ConvertTableToMatrixWorkspace('aperture_table',ColumnX='qy/A^-1',ColumnY='Signal/none') |
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182 | |
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183 | jitter_table=QueryMDWorkspace('sr122_tobyfit_jitter_cut') |
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184 | jitter_sim=ConvertTableToMatrixWorkspace('jitter_table',ColumnX='qy/A^-1',ColumnY='Signal/none') |
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185 | |
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186 | volume_table=QueryMDWorkspace('sr122_tobyfit_volume_cut') |
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187 | volume_sim=ConvertTableToMatrixWorkspace('volume_table',ColumnX='qy/A^-1',ColumnY='Signal/none') |
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188 | |
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189 | area_table=QueryMDWorkspace('sr122_tobyfit_area_cut') |
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190 | area_sim=ConvertTableToMatrixWorkspace('area_table',ColumnX='qy/A^-1',ColumnY='Signal/none') |
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191 | |
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192 | depth_table=QueryMDWorkspace('sr122_tobyfit_depth_cut') |
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193 | depth_sim=ConvertTableToMatrixWorkspace('depth_table',ColumnX='qy/A^-1',ColumnY='Signal/none') |
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194 | |
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195 | time_table=QueryMDWorkspace('sr122_tobyfit_time_cut') |
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196 | time_sim=ConvertTableToMatrixWorkspace('time_table',ColumnX='qy/A^-1',ColumnY='Signal/none') |
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197 | |
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198 | mosaic_table=QueryMDWorkspace('sr122_tobyfit_mosaic_cut') |
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199 | mosaic_sim=ConvertTableToMatrixWorkspace('mosaic_table',ColumnX='qy/A^-1',ColumnY='Signal/none') |
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200 | |
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201 | ########## |
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202 | |
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203 | mt_mod_table=QueryMDWorkspace('simulated_mod_cut') |
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204 | mt_mod_sim=ConvertTableToMatrixWorkspace('mt_mod_table',ColumnX='[0,K,0]/A^-1',ColumnY='Signal/none') |
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205 | |
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206 | mt_chop_table=QueryMDWorkspace('simulated_chopper_cut') |
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207 | mt_chop_sim=ConvertTableToMatrixWorkspace('mt_chop_table',ColumnX='[0,K,0]/A^-1',ColumnY='Signal/none') |
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208 | |
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209 | mt_ap_table=QueryMDWorkspace('simulated_aperture_cut') |
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210 | mt_ap_sim=ConvertTableToMatrixWorkspace('mt_ap_table',ColumnX='[0,K,0]/A^-1',ColumnY='Signal/none') |
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211 | |
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212 | mt_vol_table=QueryMDWorkspace('simulated_vol_cut') |
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213 | mt_vol_sim=ConvertTableToMatrixWorkspace('mt_vol_table',ColumnX='[0,K,0]/A^-1',ColumnY='Signal/none') |
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214 | |
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215 | mt_jitter_table=QueryMDWorkspace('simulated_jitter_cut') |
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216 | mt_jitter_sim=ConvertTableToMatrixWorkspace('mt_jitter_table',ColumnX='[0,K,0]/A^-1',ColumnY='Signal/none') |
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217 | |
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218 | mt_area_table=QueryMDWorkspace('simulated_area_cut') |
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219 | mt_area_sim=ConvertTableToMatrixWorkspace('mt_area_table',ColumnX='[0,K,0]/A^-1',ColumnY='Signal/none') |
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220 | |
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221 | mt_depth_table=QueryMDWorkspace('simulated_depth_cut') |
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222 | mt_depth_sim=ConvertTableToMatrixWorkspace('mt_depth_table',ColumnX='[0,K,0]/A^-1',ColumnY='Signal/none') |
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223 | |
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224 | mt_time_table=QueryMDWorkspace('simulated_time_cut') |
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225 | mt_time_sim=ConvertTableToMatrixWorkspace('mt_time_table',ColumnX='[0,K,0]/A^-1',ColumnY='Signal/none') |
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226 | |
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227 | mt_mosaic_table=QueryMDWorkspace('simulated_mosaic_cut') |
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228 | mt_mosaic_sim=ConvertTableToMatrixWorkspace('mt_mosaic_table',ColumnX='[0,K,0]/A^-1',ColumnY='Signal/none') |
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229 | |
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