Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "24ab89f1c4b0bc316873a0cddee20e2c",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 64.493,
"b": 68.950,
"c": 331.567,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.890,1.670],
"number_observations": 547559,
"number_observations_unique": 85831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.670],
"number_observations": 38183,
"number_observations_unique": 6183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.942
},
{
"type": "R(meas)",
"value": 1.027
},
{
"type": "R(pim)",
"value": 0.404
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.764
}
]
},
{
"resolution_limits": [82.890,7.470],
"number_observations": 6493,
"number_observations_unique": 1115,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}