Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a17021da611a6c344fece7a17a8dce7a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.98,
"b": 56.84,
"c": 114.60,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.500,1.340],
"number_observations": 482699,
"number_observations_unique": 77046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.340],
"number_observations": 28242,
"number_observations_unique": 5614,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.255
},
{
"type": "R(meas)",
"value": 1.403
},
{
"type": "R(pim)",
"value": 0.619
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.520
}
]
},
{
"resolution_limits": [38.500,5.990],
"number_observations": 5904,
"number_observations_unique": 993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 35.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}