Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f3a0662574693e5e0839df390501b1ac",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 30.890,
"b": 82.054,
"c": 32.255,
"alpha": 90.00,
"beta": 117.64,
"gamma": 90.00
},
"wavelengths": [0.91808],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.027,1.240],
"number_observations": 103043,
"number_observations_unique": 30430,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 80.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.321,1.240],
"number_observations": 4027,
"number_observations_unique": 1521,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.483
},
{
"type": "R(pim)",
"value": 0.275
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 29.700
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.801
}
]
},
{
"resolution_limits": [41.027,3.707],
"number_observations": 5376,
"number_observations_unique": 1522,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}