Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2ccaefbe9c3d2d22d23233cfd8746d6c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 36.993,
"b": 40.651,
"c": 56.717,
"alpha": 90.00,
"beta": 98.39,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.650,1.600],
"number_observations": 77760,
"number_observations_unique": 21138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 3667,
"number_observations_unique": 1008,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.351
},
{
"type": "R(meas)",
"value": 1.581
},
{
"type": "R(pim)",
"value": 0.814
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.424
}
]
},
{
"resolution_limits": [40.650,8.770],
"number_observations": 464,
"number_observations_unique": 151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 59.700
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}