Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "08ecb51e5730bf238233d220b9dc7c5e",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 123.834,
"b": 123.834,
"c": 66.294,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.250,1.400],
"number_observations": 2433789,
"number_observations_unique": 114880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 17.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 123759,
"number_observations_unique": 5676,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.657
},
{
"type": "R(meas)",
"value": 1.696
},
{
"type": "R(pim)",
"value": 0.360
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.800
},
{
"type": "CC(1/2)",
"value": 0.782
}
]
},
{
"resolution_limits": [45.250,7.670],
"number_observations": 16209,
"number_observations_unique": 781,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 52.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 20.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}