Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b41fe179f170850ecb48847c7cd66c29",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 193.969,
"b": 60.364,
"c": 107.085,
"alpha": 90.00,
"beta": 116.47,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.560,1.840],
"number_observations": 302768,
"number_observations_unique": 93596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.840],
"number_observations": 12833,
"number_observations_unique": 5287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.724
},
{
"type": "R(meas)",
"value": 0.913
},
{
"type": "R(pim)",
"value": 0.547
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 74.500
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.739
}
]
},
{
"resolution_limits": [53.560,8.230],
"number_observations": 3937,
"number_observations_unique": 1160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 46.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
}
]
}