Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "09e2ec26a88280933fd88919e8302721",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 81.178,
"b": 49.476,
"c": 115.134,
"alpha": 90.0,
"beta": 94.9,
"gamma": 90.0
},
"wavelengths": [0.91790],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [114.820,2.110],
"number_observations": 181304,
"number_observations_unique": 52612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
"refln_shells": [
{
"resolution_limits": [2.170,2.110],
"number_observations": 14626,
"number_observations_unique": 4118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.920
},
{
"type": "R(meas)",
"value": 1.089
},
{
"type": "R(pim)",
"value": 0.576
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.377
}
]
},
{
"resolution_limits": [114.820,8.960],
"number_observations": 2332,
"number_observations_unique": 764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 54.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
}
]
}