Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "de0d20b75389420410983630f19f5d6a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 77.029,
"b": 112.005,
"c": 131.568,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98013],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.680,1.945],
"number_observations_unique": 83824,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.950],
"number_observations": 48844,
"number_observations_unique": 4162,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.643
},
{
"type": "R(meas)",
"value": 1.717
},
{
"type": "R(pim)",
"value": 0.486
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.686
}
]
},
{
"resolution_limits": [45.680,10.110],
"number_observations": 7508,
"number_observations_unique": 698,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 40.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}