Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e886977639bfd9e4da3aa523ed59d693",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 140.825,
"b": 140.825,
"c": 205.708,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.120,2.400],
"number_observations": 171405,
"number_observations_unique": 30873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 18652,
"number_observations_unique": 3223,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.418
},
{
"type": "R(meas)",
"value": 1.561
},
{
"type": "R(pim)",
"value": 0.646
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.595
}
]
},
{
"resolution_limits": [49.120,8.980],
"number_observations": 3081,
"number_observations_unique": 645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 39.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}