Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "1b7f48a44f65d099c2ea942ab6a9a2ef",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.422,
"b": 83.427,
"c": 58.739,
"alpha": 90.00,
"beta": 108.79,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.710,1.660],
"number_observations": 371320,
"number_observations_unique": 59755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.660],
"number_observations": 11793,
"number_observations_unique": 2886,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.610
},
{
"type": "R(meas)",
"value": 1.848
},
{
"type": "R(pim)",
"value": 0.890
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.352
}
]
},
{
"resolution_limits": [41.710,9.090],
"number_observations": 2332,
"number_observations_unique": 386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 56.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
}
]
}