Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d3cb9e75f14fd7637fdce96fd782d362",
"space_group_name": "P 1",
"unit_cell": {
"a": 63.420,
"b": 110.158,
"c": 180.584,
"alpha": 75.84,
"beta": 83.62,
"gamma": 73.95
},
"wavelengths": [0.98700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.560,2.660],
"number_observations": 439740,
"number_observations_unique": 128604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(meas)",
"value": 0.289
},
{
"type": "R(pim)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
"refln_shells": [
{
"resolution_limits": [2.710,2.660],
"number_observations": 21625,
"number_observations_unique": 6338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.809
},
{
"type": "R(meas)",
"value": 0.966
},
{
"type": "R(pim)",
"value": 0.519
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.587
}
]
},
{
"resolution_limits": [49.560,14.570],
"number_observations": 2614,
"number_observations_unique": 773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}