Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8ff7399fbb13fc64a9d946243c4a32da",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.449,
"b": 52.773,
"c": 44.515,
"alpha": 90.00,
"beta": 103.02,
"gamma": 90.00
},
"wavelengths": [0.91300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.780,1.510],
"number_observations": 123165,
"number_observations_unique": 38077,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.510],
"number_observations": 4058,
"number_observations_unique": 1700,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.277
},
{
"type": "R(meas)",
"value": 1.623
},
{
"type": "R(pim)",
"value": 0.978
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 85.700
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.209
}
]
},
{
"resolution_limits": [54.780,8.270],
"number_observations": 1017,
"number_observations_unique": 268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 24.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}