Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0c072699b34746d504c32e8a6784af17",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 40.64,
"b": 207.14,
"c": 103.36,
"alpha": 90.0,
"beta": 97.7,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.530,2.100],
"number_observations": 336364,
"number_observations_unique": 95880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.100],
"number_observations": 15243,
"number_observations_unique": 4608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.816
},
{
"type": "R(meas)",
"value": 0.959
},
{
"type": "R(pim)",
"value": 0.500
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.681
}
]
},
{
"resolution_limits": [39.530,11.500],
"number_observations": 1841,
"number_observations_unique": 544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 87.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}