Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "719853adc9aa0309673ce42747394676",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 131.930,
"b": 159.784,
"c": 227.886,
"alpha": 90.00,
"beta": 96.74,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.000,3.500],
"number_observations": 351683,
"number_observations_unique": 58926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
"refln_shells": [
{
"resolution_limits": [3.590,3.500],
"number_observations": 27634,
"number_observations_unique": 4498,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.548
},
{
"type": "R(meas)",
"value": 2.793
},
{
"type": "R(pim)",
"value": 1.131
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.238
}
]
},
{
"resolution_limits": [65.000,15.240],
"number_observations": 4278,
"number_observations_unique": 739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
}
]
}