Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c275cd35033151a05d3403bb27cd1c37",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 72.01,
"b": 104.64,
"c": 38.00,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.330,1.340],
"number_observations": 287858,
"number_observations_unique": 64654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.430,1.340],
"number_observations": 38736,
"number_observations_unique": 11536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.469
},
{
"type": "R(meas)",
"value": 0.558
},
{
"type": "R(pim)",
"value": 0.296
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.758
}
]
},
{
"resolution_limits": [42.330,3.790],
"number_observations": 18086,
"number_observations_unique": 3123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 22.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}