Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "32c23b86b605445417f5f1f60b99c070",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.228,
"b": 70.191,
"c": 85.166,
"alpha": 102.63,
"beta": 95.94,
"gamma": 112.44
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.270,1.920],
"number_observations": 305071,
"number_observations_unique": 89886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.920],
"number_observations": 13134,
"number_observations_unique": 4408,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.368
},
{
"type": "R(meas)",
"value": 1.682
},
{
"type": "R(pim)",
"value": 0.958
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.345
}
]
},
{
"resolution_limits": [81.270,10.320],
"number_observations": 2294,
"number_observations_unique": 591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 40.100
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}