diff --git "a/example_data/mp-1204129-20.dif" "b/example_data/mp-1204129-20.dif" new file mode 100644--- /dev/null +++ "b/example_data/mp-1204129-20.dif" @@ -0,0 +1,8200 @@ +# Material ID: mp-1204129 +# Source: mp-1204129-20.npy +# Crystal System: 2 (Monoclinic) +CELL PARAMETERS: 6.078282 10.258812 16.854430 90.0000 90.0000 105.3179 +SPACE GROUP: 14 +wavelength: 0.6199 +# +# 2theta (deg) Intensity +5.000000 6.197339 +5.001831 4.434683 +5.003663 4.373538 +5.005494 4.233249 +5.007325 5.971156 +5.009156 3.398061 +5.010988 4.412044 +5.012819 3.733926 +5.014650 5.662536 +5.016482 4.938102 +5.018313 5.135262 +5.020144 4.349452 +5.021975 5.621773 +5.023807 6.067204 +5.025638 4.659326 +5.027469 5.306374 +5.029300 5.278514 +5.031132 3.822020 +5.032963 3.402914 +5.034794 3.928480 +5.036626 5.200220 +5.038457 3.747847 +5.040288 5.993518 +5.042119 5.103607 +5.043951 5.924097 +5.045782 4.330326 +5.047613 4.050906 +5.049445 3.856350 +5.051276 5.077062 +5.053107 5.992959 +5.054938 5.964831 +5.056770 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