Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "590df39e171064e3ce2c32539a2edecb",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 46.052,
"b": 85.712,
"c": 126.728,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.260,1.990],
"number_observations": 228163,
"number_observations_unique": 35226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,1.990],
"number_observations": 15588,
"number_observations_unique": 2437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.796
},
{
"type": "R(meas)",
"value": 0.865
},
{
"type": "R(pim)",
"value": 0.334
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.762
}
]
},
{
"resolution_limits": [29.260,8.880],
"number_observations": 2643,
"number_observations_unique": 457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 41.000
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}