Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "30d2e1e5554277a5dd5bb7f8e803495b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 60.076,
"b": 30.498,
"c": 61.099,
"alpha": 90.00,
"beta": 97.84,
"gamma": 90.00
},
"wavelengths": [0.99999],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.2750,1.380],
"number_observations_unique": 22794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.400,1.380],
"number_observations": 4992,
"number_observations_unique": 1144,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.909
},
{
"type": "R(meas)",
"value": 2.175
},
{
"type": "R(pim)",
"value": 1.030
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.306
}
]
},
{
"resolution_limits": [28.270,7.560],
"number_observations": 495,
"number_observations_unique": 136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 61.100
},
{
"type": "Completeness",
"value": 85.000
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}