Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "344511d7f0dce02d0a4bc4456ff8d47d",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 105.712,
"b": 57.350,
"c": 130.425,
"alpha": 90.00,
"beta": 107.53,
"gamma": 90.00
},
"wavelengths": [0.97870],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.870,1.960],
"number_observations": 201576,
"number_observations_unique": 53571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.960],
"number_observations": 14298,
"number_observations_unique": 3767,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.012
},
{
"type": "R(meas)",
"value": 1.179
},
{
"type": "R(pim)",
"value": 0.601
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.546
}
]
},
{
"resolution_limits": [19.870,8.980],
"number_observations": 1894,
"number_observations_unique": 550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 34.100
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}