Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2bef1f6c3e87f80350eb9cda91e681e6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.458,
"b": 88.053,
"c": 81.184,
"alpha": 90.00,
"beta": 101.47,
"gamma": 90.00
},
"wavelengths": [1.00928,1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30,1.75],
"number_observations_unique": 65452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.02
},
{
"type": "I/SigI",
"value": 34.82
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
"refln_shells": [
{
"resolution_limits": [1.81,1.75],
"number_observations_unique": 6405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.439
},
{
"type": "R(meas)",
"value": 0.525
},
{
"type": "R(pim)",
"value": 0.285
},
{
"type": "I/SigI",
"value": 2.13
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.824
}
]
},
{
"resolution_limits": [2.24,2.16],
"number_observations_unique": 3358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.661
},
{
"type": "R(meas)",
"value": 0.725
},
{
"type": "R(pim)",
"value": 0.292
},
{
"type": "I/SigI",
"value": 2.08
},
{
"type": "Completeness",
"value": 95.9
},
{
"type": "Redundancy",
"value": 5.6
},
{
"type": "CC(1/2)",
"value": 0.81
}
]
}
]
}