Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b9901de8ec76dd465e947fa5ea746e40",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 37.123,
"b": 44.019,
"c": 79.560,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.560,1.320],
"number_observations_unique": 60065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 19.600
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.340,1.320],
"number_observations": 6256,
"number_observations_unique": 1637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.675
},
{
"type": "R(meas)",
"value": 0.783
},
{
"type": "R(pim)",
"value": 0.390
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.638
}
]
},
{
"resolution_limits": [79.560,6.990],
"number_observations": 966,
"number_observations_unique": 240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 54.500
},
{
"type": "Completeness",
"value": 89.700
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}