Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f09a73bacd79c29b2fd01bc52851fa15",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.31,
"b": 41.35,
"c": 72.04,
"alpha": 90.00,
"beta": 104.06,
"gamma": 90.00
},
"wavelengths": [1.28200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.350,1.330],
"number_observations": 400949,
"number_observations_unique": 52885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 23.600
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.350,1.330],
"number_observations": 18855,
"number_observations_unique": 2500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [41.350,7.280],
"number_observations": 2312,
"number_observations_unique": 356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 38.400
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}