Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cdfa61c8ecb28790b8de32ed4b70b99a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 31.209,
"b": 82.106,
"c": 32.401,
"alpha": 90.00,
"beta": 118.26,
"gamma": 90.00
},
"wavelengths": [0.91808],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.053,1.197],
"number_observations": 105651,
"number_observations_unique": 33804,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 85.200
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.306,1.197],
"number_observations": 2936,
"number_observations_unique": 1691,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.466
},
{
"type": "R(pim)",
"value": 0.316
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 32.200
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.771
}
]
},
{
"resolution_limits": [41.053,3.593],
"number_observations": 5901,
"number_observations_unique": 1689,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 35.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}