Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c3c3e5dd23facd9dbf2da48368ff56f0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 31.006,
"b": 85.731,
"c": 66.336,
"alpha": 90.0,
"beta": 92.4,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.280,1.770],
"number_observations_unique": 33772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.770],
"number_observations": 8389,
"number_observations_unique": 1901,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.517
},
{
"type": "R(meas)",
"value": 1.729
},
{
"type": "R(pim)",
"value": 0.809
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.507
}
]
},
{
"resolution_limits": [66.280,9.030],
"number_observations": 1721,
"number_observations_unique": 273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 27.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}