Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9b11ea49987c1865e8a7495c376f8aaa",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 99.202,
"b": 69.671,
"c": 67.440,
"alpha": 90.00,
"beta": 117.54,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.800,1.410],
"number_observations": 924128,
"number_observations_unique": 75809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.204
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.410],
"number_observations": 76346,
"number_observations_unique": 8676,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.681
},
{
"type": "R(meas)",
"value": 2.847
},
{
"type": "R(pim)",
"value": 0.929
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 76.000
},
{
"type": "Redundancy",
"value": 8.800
},
{
"type": "CC(1/2)",
"value": 0.400
}
]
},
{
"resolution_limits": [59.800,4.450],
"number_observations": 31388,
"number_observations_unique": 2569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 20.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}