Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3c750de874f0c8005d8ccdf3bc2d532b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 170.443,
"b": 33.839,
"c": 53.541,
"alpha": 90.00,
"beta": 91.88,
"gamma": 90.00
},
"wavelengths": [0.97240],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.000,1.990],
"number_observations_unique": 26259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,1.990],
"number_observations": 1669,
"number_observations_unique": 801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 55.000
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.010
}
]
},
{
"resolution_limits": [46.000,9.100],
"number_observations": 1244,
"number_observations_unique": 254,
"quality_factors": [
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}