Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "befc4f75a5554b0da43960a5e02f0a9e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 23.203,
"b": 63.262,
"c": 30.073,
"alpha": 90.00,
"beta": 95.65,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.220,0.960],
"number_observations_unique": 91360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [0.970,0.960],
"number_observations": 4972,
"number_observations_unique": 2144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.416
},
{
"type": "R(meas)",
"value": 0.529
},
{
"type": "R(pim)",
"value": 0.323
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 81.000
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.667
}
]
},
{
"resolution_limits": [19.220,5.240],
"number_observations": 1065,
"number_observations_unique": 327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 35.900
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}