Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2a2d246b85c8762822ff2ec5266b0053",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 89.341,
"b": 137.547,
"c": 153.843,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.73,1.770],
"number_observations_unique": 92257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.770],
"number_observations": 37572,
"number_observations_unique": 4511,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.876
},
{
"type": "R(meas)",
"value": 2.008
},
{
"type": "R(pim)",
"value": 0.709
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.547
}
]
},
{
"resolution_limits": [53.670,9.690],
"number_observations": 4960,
"number_observations_unique": 644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 34.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}