Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c78fae566b7f6fedf3f48324be6a2d47",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 111.74,
"b": 52.58,
"c": 44.68,
"alpha": 90.00,
"beta": 102.89,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.530,1.300],
"number_observations": 154394,
"number_observations_unique": 55097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 88.500
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.300],
"number_observations": 1590,
"number_observations_unique": 1257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.871
},
{
"type": "R(meas)",
"value": 1.232
},
{
"type": "R(pim)",
"value": 0.871
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 40.700
},
{
"type": "Redundancy",
"value": 1.300
},
{
"type": "CC(1/2)",
"value": 0.289
}
]
},
{
"resolution_limits": [54.530,7.120],
"number_observations": 1431,
"number_observations_unique": 414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 32.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}