Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "40465f914948043b8b5cda65a67dcb94",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 81.60,
"b": 81.60,
"c": 134.46,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.330,2.240],
"number_observations": 509017,
"number_observations_unique": 25585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.300,2.240],
"number_observations": 37130,
"number_observations_unique": 1858,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.785
},
{
"type": "R(meas)",
"value": 1.832
},
{
"type": "R(pim)",
"value": 0.408
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 20.000
},
{
"type": "CC(1/2)",
"value": 0.822
}
]
},
{
"resolution_limits": [35.330,10.020],
"number_observations": 4584,
"number_observations_unique": 333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 49.700
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 13.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}