Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8116bacb2c1320a6bdacc12c205ac0d9",
"space_group_name": "P 41 2 2",
"unit_cell": {
"a": 50.520,
"b": 50.520,
"c": 152.856,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.480,1.660],
"number_observations": 195256,
"number_observations_unique": 24132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.660],
"number_observations": 11894,
"number_observations_unique": 1744,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.061
},
{
"type": "R(meas)",
"value": 2.227
},
{
"type": "R(pim)",
"value": 0.824
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.506
}
]
},
{
"resolution_limits": [50.480,7.420],
"number_observations": 2376,
"number_observations_unique": 328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 53.300
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}