Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c6ce7a23a061822fc7b99d583673a3e5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.422,
"b": 63.320,
"c": 123.517,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.890,2.430],
"number_observations": 98474,
"number_observations_unique": 14985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 30.400
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.520,2.430],
"number_observations_unique": 1531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.339
},
{
"type": "R(meas)",
"value": 0.368
},
{
"type": "R(pim)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 5.1
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [45.890,9.090],
"number_observations_unique": 342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.014
},
{
"type": "R(meas)",
"value": 0.015
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 87.3
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}