diff --git "a/example_data/mp-1101653-34.dif" "b/example_data/mp-1101653-34.dif" new file mode 100644--- /dev/null +++ "b/example_data/mp-1101653-34.dif" @@ -0,0 +1,8200 @@ +# Material ID: mp-1101653 +# Source: mp-1101653-34.npy +# Crystal System: 5 (Trigonal) +CELL PARAMETERS: 3.396945 3.396945 16.424486 90.0000 90.0000 120.0000 +SPACE GROUP: 166 +wavelength: 0.6199 +# +# 2theta (deg) Intensity +5.000000 5.582532 +5.001831 6.967326 +5.003663 6.164417 +5.005494 5.042059 +5.007325 6.004861 +5.009156 5.826586 +5.010988 6.165212 +5.012819 6.843211 +5.014650 7.331463 +5.016482 4.514907 +5.018313 5.258215 +5.020144 6.618040 +5.021975 7.452836 +5.023807 6.493521 +5.025638 7.073170 +5.027469 5.906643 +5.029300 4.859482 +5.031132 5.934682 +5.032963 7.262231 +5.034794 6.659157 +5.036626 6.764338 +5.038457 5.118006 +5.040288 6.884725 +5.042119 7.225967 +5.043951 4.985846 +5.045782 6.397125 +5.047613 5.573819 +5.049445 4.856624 +5.051276 6.605834 +5.053107 5.308975 +5.054938 4.675020 +5.056770 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