Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "29c6ed5166c1610ab8d123c545ae6553",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 95.728,
"b": 95.728,
"c": 201.347,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.570,2.200],
"number_observations": 227755,
"number_observations_unique": 28579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 15.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 19645,
"number_observations_unique": 2420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.879
},
{
"type": "R(meas)",
"value": 0.939
},
{
"type": "R(pim)",
"value": 0.323
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.790
}
]
},
{
"resolution_limits": [46.570,9.070],
"number_observations": 3199,
"number_observations_unique": 511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 47.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}