Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "be124113d71c948c0e9a76bfc61b9b6d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 138.650,
"b": 65.928,
"c": 84.493,
"alpha": 90.00,
"beta": 93.48,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.200,1.800],
"number_observations": 232184,
"number_observations_unique": 70570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.800],
"number_observations": 28376,
"number_observations_unique": 10221,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.010
},
{
"type": "R(meas)",
"value": 1.258
},
{
"type": "R(pim)",
"value": 0.740
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.392
}
]
},
{
"resolution_limits": [69.200,5.690],
"number_observations": 7859,
"number_observations_unique": 2337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 19.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}