Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a2fa72f4bead36766dc93ee76ee8fb64",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.28,
"b": 69.44,
"c": 56.99,
"alpha": 90.00,
"beta": 92.33,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.030,1.610],
"number_observations": 171726,
"number_observations_unique": 53682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.650,1.610],
"number_observations": 10489,
"number_observations_unique": 3980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.861
},
{
"type": "R(meas)",
"value": 1.076
},
{
"type": "R(pim)",
"value": 0.637
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.514
}
]
},
{
"resolution_limits": [44.030,7.200],
"number_observations": 2008,
"number_observations_unique": 632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 42.200
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}