Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6d931610feb106f1a1c9d858a8520e1b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 89.624,
"b": 80.785,
"c": 107.003,
"alpha": 90.00,
"beta": 112.47,
"gamma": 90.00
},
"wavelengths": [1.07818],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [98.88,1.957],
"number_observations_unique": 96293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.964,1.957],
"number_observations": 3925,
"number_observations_unique": 988,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.415
},
{
"type": "R(meas)",
"value": 0.479
},
{
"type": "R(pim)",
"value": 0.235
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [98.877,9.082],
"number_observations": 3582,
"number_observations_unique": 1015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 28.500
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}