Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3c63947c977dc5aa5724cb652d2144e4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.634,
"b": 67.497,
"c": 73.657,
"alpha": 90.000,
"beta": 101.045,
"gamma": 90.000
},
"wavelengths": [0.96550],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47,1.229],
"number_observations_unique": 128757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 6.9
},
{
"type": "Completeness",
"value": 96.9
},
{
"type": "Redundancy",
"value": 2.3
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [47,6.73],
"number_observations_unique": 816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 96.1
},
{
"type": "Redundancy",
"value": 2.4
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [1.25,1.23],
"number_observations_unique": 5862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.629
},
{
"type": "R(meas)",
"value": 0.882
},
{
"type": "R(pim)",
"value": 0.617
},
{
"type": "Redundancy",
"value": 2.2
},
{
"type": "CC(1/2)",
"value": 0.539
}
]
}
]
}