Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e5d3f250f0dfa7a4f063bf7c72869be6",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.506,
"b": 71.506,
"c": 150.561,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.430,1.210],
"number_observations": 1535336,
"number_observations_unique": 119316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.230,1.210],
"number_observations": 69511,
"number_observations_unique": 5660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.737
},
{
"type": "R(meas)",
"value": 0.768
},
{
"type": "R(pim)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.875
}
]
},
{
"resolution_limits": [29.430,6.630],
"number_observations": 10169,
"number_observations_unique": 870,
"quality_factors": [
{
"type": "R(merge)",
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},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
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},
{
"type": "Completeness",
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},
{
"type": "Redundancy",
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},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}