Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c42e28f28a9f459a161a8c5c6d070ac1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 135.166,
"b": 66.135,
"c": 83.921,
"alpha": 90.00,
"beta": 103.86,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.550,1.640],
"number_observations": 256773,
"number_observations_unique": 87562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.640],
"number_observations": 12884,
"number_observations_unique": 6234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.835
},
{
"type": "R(meas)",
"value": 1.095
},
{
"type": "R(pim)",
"value": 0.701
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.437
}
]
},
{
"resolution_limits": [81.550,7.330],
"number_observations": 3298,
"number_observations_unique": 1050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 23.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}