Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "58c092447b0324d61b8b37e7ed8406dc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 26.122,
"b": 47.008,
"c": 46.404,
"alpha": 90.00,
"beta": 103.12,
"gamma": 90.00
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.010,1.580],
"number_observations": 48317,
"number_observations_unique": 14803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.580],
"number_observations": 2023,
"number_observations_unique": 668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.320
},
{
"type": "R(meas)",
"value": 0.387
},
{
"type": "R(pim)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [47.010,8.660],
"number_observations": 335,
"number_observations_unique": 101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 55.700
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}