Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "162e0e3a2f60223e466bc932876a0be6",
"space_group_name": "I 4 2 2",
"unit_cell": {
"a": 47.98,
"b": 47.98,
"c": 127.82,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91590],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.92,1.30],
"number_observations_unique": 18806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 33.4
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 24.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.33,1.30],
"number_observations_unique": 1364,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.644
},
{
"type": "R(meas)",
"value": 2.710
},
{
"type": "R(pim)",
"value": 0.590
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 20.6
},
{
"type": "CC(1/2)",
"value": 0.642
}
]
},
{
"resolution_limits": [44.92,5.81],
"number_observations_unique": 268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 82.2
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 17.5
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}