Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "decefbceb397df1a641a7e56139539aa",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.692,
"b": 49.868,
"c": 114.474,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.45830],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.720,1.580],
"number_observations": 151100,
"number_observations_unique": 30357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.580],
"number_observations": 3356,
"number_observations_unique": 1162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "R(meas)",
"value": 0.447
},
{
"type": "R(pim)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 77.700
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.631
}
]
},
{
"resolution_limits": [45.720,8.650],
"number_observations": 999,
"number_observations_unique": 229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 26.300
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
}
]
}