Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "87e068871d425a1af05d3e0cdc43774b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 43.200,
"b": 110.932,
"c": 66.057,
"alpha": 90.00,
"beta": 91.65,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [110.930,1.890],
"number_observations": 187229,
"number_observations_unique": 48230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,1.890],
"number_observations": 85225,
"number_observations_unique": 21811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.413
},
{
"type": "R(meas)",
"value": 0.477
},
{
"type": "R(pim)",
"value": 0.235
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.890
}
]
},
{
"resolution_limits": [110.930,3.280],
"number_observations": 35858,
"number_observations_unique": 9409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 24.900
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}