Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f07ccb05b04e309ae33c1e4fa75a7f22",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.522,
"b": 95.522,
"c": 45.748,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.260,1.230],
"number_observations": 583990,
"number_observations_unique": 57340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.250,1.230],
"number_observations": 4437,
"number_observations_unique": 1901,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.018
},
{
"type": "R(meas)",
"value": 1.305
},
{
"type": "R(pim)",
"value": 0.802
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 63.600
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.358
}
]
},
{
"resolution_limits": [41.260,6.740],
"number_observations": 5019,
"number_observations_unique": 401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 100.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}