Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f36262f2c6fa0ae4dbfd2f11ca849d31",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.93,
"b": 57.94,
"c": 114.64,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [23.690,1.710],
"number_observations": 248860,
"number_observations_unique": 38197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.750,1.710],
"number_observations": 17262,
"number_observations_unique": 2774,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.882
},
{
"type": "R(meas)",
"value": 2.054
},
{
"type": "R(pim)",
"value": 0.812
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.578
}
]
},
{
"resolution_limits": [23.690,7.650],
"number_observations": 3004,
"number_observations_unique": 491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 59.200
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}