Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ca1ef66ff30d59380aca443147e0fca9",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.6,
"b": 67.6,
"c": 166.7,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91590],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.910,1.670],
"number_observations": 326594,
"number_observations_unique": 27141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 19.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.670],
"number_observations": 14033,
"number_observations_unique": 1374,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.230
},
{
"type": "R(meas)",
"value": 2.349
},
{
"type": "R(pim)",
"value": 0.726
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.479
}
]
},
{
"resolution_limits": [47.910,8.990],
"number_observations": 2389,
"number_observations_unique": 243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 77.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}