Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7b051e9eac926c332c7007cc89b33027",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 76.290,
"b": 76.290,
"c": 110.813,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [110.810,1.400],
"number_observations": 1228244,
"number_observations_unique": 142034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 59168,
"number_observations_unique": 3613,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.287
},
{
"type": "R(pim)",
"value": 0.579
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.400
},
{
"type": "CC(1/2)",
"value": 0.729
}
]
},
{
"resolution_limits": [110.810,7.670],
"number_observations": 7163,
"number_observations_unique": 531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 46.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}