Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5f0e2c227ab8cd676b821c076d4b33c6",
"space_group_name": "P 32",
"unit_cell": {
"a": 77.825,
"b": 77.825,
"c": 218.972,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.492,2.000],
"number_observations_unique": 98127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,2.000],
"number_observations": 9776,
"number_observations_unique": 4871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.668
},
{
"type": "R(meas)",
"value": 0.909
},
{
"type": "R(pim)",
"value": 0.613
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.551
}
]
},
{
"resolution_limits": [42.490,10.950],
"number_observations": 1182,
"number_observations_unique": 553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 25.800
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}