Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9ba4bab8783a2206cbfb36ed128b4c98",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.59,
"b": 69.33,
"c": 57.08,
"alpha": 90.00,
"beta": 92.12,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.040,1.490],
"number_observations": 206139,
"number_observations_unique": 67873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.490],
"number_observations": 10659,
"number_observations_unique": 4933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.679
},
{
"type": "R(meas)",
"value": 0.882
},
{
"type": "R(pim)",
"value": 0.557
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.532
}
]
},
{
"resolution_limits": [57.040,6.660],
"number_observations": 2560,
"number_observations_unique": 804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 32.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}