Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "84b9ecf28e2999350d4c7865e21c1ec5",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 167.775,
"b": 222.760,
"c": 192.956,
"alpha": 90.00,
"beta": 100.54,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.533,3.630],
"number_observations_unique": 78506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.521
},
{
"type": "R(meas)",
"value": 0.559
},
{
"type": "R(pim)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
"refln_shells": [
{
"resolution_limits": [3.700,3.630],
"number_observations": 34030,
"number_observations_unique": 4429,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.075
},
{
"type": "R(meas)",
"value": 3.297
},
{
"type": "R(pim)",
"value": 1.186
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.288
}
]
},
{
"resolution_limits": [49.530,18.510],
"number_observations": 3683,
"number_observations_unique": 585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}