Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "063fd6870301a4632693b067eeed8d08",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 71.777,
"b": 101.418,
"c": 86.559,
"alpha": 90.00,
"beta": 108.57,
"gamma": 90.00
},
"wavelengths": [0.97855],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.050,2.400],
"number_observations": 173636,
"number_observations_unique": 46118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.770,2.400],
"number_observations": 61335,
"number_observations_unique": 16112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.484
},
{
"type": "R(meas)",
"value": 0.564
},
{
"type": "R(pim)",
"value": 0.288
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.850
}
]
},
{
"resolution_limits": [82.050,4.790],
"number_observations": 21045,
"number_observations_unique": 5819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 27.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}