Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ec31028bb7555d389a9646c82d876a90",
"space_group_name": "P 1",
"unit_cell": {
"a": 50.121,
"b": 54.183,
"c": 72.109,
"alpha": 75.48,
"beta": 74.33,
"gamma": 63.09
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.650,1.800],
"number_observations": 123105,
"number_observations_unique": 55714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 7622,
"number_observations_unique": 3368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.622
},
{
"type": "R(meas)",
"value": 0.812
},
{
"type": "R(pim)",
"value": 0.516
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.652
}
]
},
{
"resolution_limits": [68.650,9.000],
"number_observations": 1025,
"number_observations_unique": 448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 25.400
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}