Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4d7e428b1baa1af5daeec02897a3dee3",
"space_group_name": "P 62",
"unit_cell": {
"a": 94.729,
"b": 94.729,
"c": 52.729,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.360,1.660],
"number_observations": 629629,
"number_observations_unique": 32033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 29.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.660],
"number_observations": 29881,
"number_observations_unique": 1598,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.469
},
{
"type": "R(meas)",
"value": 1.510
},
{
"type": "R(pim)",
"value": 0.347
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.700
},
{
"type": "CC(1/2)",
"value": 0.765
}
]
},
{
"resolution_limits": [44.360,9.090],
"number_observations": 3947,
"number_observations_unique": 213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 80.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 18.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}