Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "07f04ee60716cdb8096ae4da50bce92c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 65.56,
"b": 64.36,
"c": 62.25,
"alpha": 90.00,
"beta": 116.65,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.640,2.4390],
"number_observations_unique": 8635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.440],
"number_observations": 6932,
"number_observations_unique": 958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.924
},
{
"type": "R(meas)",
"value": 0.995
},
{
"type": "R(pim)",
"value": 0.366
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.879
}
]
},
{
"resolution_limits": [55.640,8.790],
"number_observations": 1242,
"number_observations_unique": 199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 29.600
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}