Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2b25e11c9d788e3481b71087b755c38f",
"space_group_name": "P 41 3 2",
"unit_cell": {
"a": 143.608,
"b": 143.608,
"c": 143.608,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.870,2.400],
"number_observations": 279175,
"number_observations_unique": 20538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 26.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 29339,
"number_observations_unique": 2111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.790
},
{
"type": "R(meas)",
"value": 0.820
},
{
"type": "R(pim)",
"value": 0.217
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.900
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [47.870,8.960],
"number_observations": 5270,
"number_observations_unique": 474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "R(pim)",
"value": 0.005
},
{
"type": "I/SigI",
"value": 76.000
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}