Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b5db8696d10a65868227f7f007c3e299",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 113.210,
"b": 123.690,
"c": 136.909,
"alpha": 90.00,
"beta": 100.36,
"gamma": 90.00
},
"wavelengths": [0.97931],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.370,3.530],
"number_observations_unique": 43734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "R(meas)",
"value": 0.311
},
{
"type": "R(pim)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
"refln_shells": [
{
"resolution_limits": [3.660,3.530],
"number_observations": 9774,
"number_observations_unique": 4273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.760
},
{
"type": "R(meas)",
"value": 0.960
},
{
"type": "R(pim)",
"value": 0.577
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.541
}
]
},
{
"resolution_limits": [30.370,13.200],
"number_observations": 1834,
"number_observations_unique": 759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 82.800
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}