Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "42c8949c23640bb97ea37f55bd5f866f",
"space_group_name": "P 1",
"unit_cell": {
"a": 49.438,
"b": 85.240,
"c": 89.678,
"alpha": 70.27,
"beta": 74.10,
"gamma": 86.86
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.03,2.300],
"number_observations_unique": 55296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
"refln_shells": [
{
"resolution_limits": [2.420,2.300],
"number_observations_unique": 8311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.413
},
{
"type": "R(meas)",
"value": 0.602
},
{
"type": "R(pim)",
"value": 0.337
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.832
}
]
},
{
"resolution_limits": [70.020,7.270],
"number_observations_unique": 1832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}