Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a59185cd1757524339af3834c6b265a8",
"space_group_name": "P 1",
"unit_cell": {
"a": 78.779,
"b": 86.230,
"c": 201.463,
"alpha": 89.85,
"beta": 85.39,
"gamma": 69.59
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.840,2.750],
"number_observations": 481832,
"number_observations_unique": 125883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.800,2.750],
"number_observations": 24587,
"number_observations_unique": 6284,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.239
},
{
"type": "R(meas)",
"value": 2.595
},
{
"type": "R(pim)",
"value": 1.310
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.253
}
]
},
{
"resolution_limits": [48.840,15.060],
"number_observations": 2503,
"number_observations_unique": 668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 29.000
},
{
"type": "Completeness",
"value": 85.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
}
]
}