Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5e43e095d9c202cecee82bdd10da6e95",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 105.346,
"b": 61.546,
"c": 90.496,
"alpha": 90.00,
"beta": 92.58,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.400,1.850],
"number_observations": 368396,
"number_observations_unique": 49805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.850],
"number_observations": 20635,
"number_observations_unique": 2954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.680
},
{
"type": "R(meas)",
"value": 0.734
},
{
"type": "R(pim)",
"value": 0.273
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.840
}
]
},
{
"resolution_limits": [46.400,9.040],
"number_observations": 3082,
"number_observations_unique": 451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 24.600
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}