Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "42a4049c93cb7bbdef0a3b4116b8df50",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 64.745,
"b": 65.241,
"c": 116.838,
"alpha": 90.000,
"beta": 101.603,
"gamma": 90.000
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.504,1.65],
"number_observations_unique": 112073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 8.0
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [47.50,9.06],
"number_observations_unique": 712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [1.68,1.65],
"number_observations_unique": 4819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.984
},
{
"type": "R(meas)",
"value": 1.344
},
{
"type": "R(pim)",
"value": 0.910
},
{
"type": "Redundancy",
"value": 2.6
},
{
"type": "CC(1/2)",
"value": 0.244
}
]
}
]
}