Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ceb4af09acaa01acc239aceca897fb6a",
"space_group_name": "I 2 3",
"unit_cell": {
"a": 145.811,
"b": 145.811,
"c": 145.811,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.970,3.600],
"number_observations": 30048,
"number_observations_unique": 6128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.216
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
"refln_shells": [
{
"resolution_limits": [3.690,3.600],
"number_observations": 2261,
"number_observations_unique": 449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.592
},
{
"type": "R(meas)",
"value": 0.666
},
{
"type": "R(pim)",
"value": 0.300
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.808
}
]
},
{
"resolution_limits": [38.970,16.100],
"number_observations": 317,
"number_observations_unique": 76,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}