Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "97a7f2720dcb55c6eeee3c85f77a732e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.619,
"b": 33.444,
"c": 61.266,
"alpha": 90.0,
"beta": 97.1,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.340,1.610],
"number_observations": 134065,
"number_observations_unique": 19954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.610],
"number_observations": 5767,
"number_observations_unique": 915,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.524
},
{
"type": "R(meas)",
"value": 2.756
},
{
"type": "R(pim)",
"value": 1.091
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.249
}
]
},
{
"resolution_limits": [37.340,8.790],
"number_observations": 719,
"number_observations_unique": 141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 41.000
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
}
]
}