Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "cc3823c1699b0d6cf7dc9862e208216a",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 81.59,
"b": 81.59,
"c": 135.06,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.010,2.030],
"number_observations": 667590,
"number_observations_unique": 34331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 25.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.080,2.030],
"number_observations": 50857,
"number_observations_unique": 2526,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.415
},
{
"type": "R(meas)",
"value": 1.451
},
{
"type": "R(pim)",
"value": 0.322
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.100
},
{
"type": "CC(1/2)",
"value": 0.852
}
]
},
{
"resolution_limits": [27.010,9.080],
"number_observations": 5611,
"number_observations_unique": 432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 62.200
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}