Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "40e2e6319ea3e467e2515591ce0eb8bb",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 46.41,
"b": 70.81,
"c": 100.57,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.300,1.550],
"number_observations": 605815,
"number_observations_unique": 48642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 21.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.550],
"number_observations_unique": 3367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.392
},
{
"type": "R(meas)",
"value": 0.422
},
{
"type": "R(pim)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.944
}
]
},
{
"resolution_limits": [30.300,6.930],
"number_observations_unique": 632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 46.3
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}