Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b4b7f3f12f1277840229bcbf9b31c3ec",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.662,
"b": 53.531,
"c": 44.962,
"alpha": 90.00,
"beta": 101.89,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.310,1.880],
"number_observations": 63010,
"number_observations_unique": 18050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 18.600
},
{
"type": "Completeness",
"value": 82.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.880],
"number_observations": 2506,
"number_observations_unique": 1065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.622
},
{
"type": "R(meas)",
"value": 0.816
},
{
"type": "R(pim)",
"value": 0.519
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 33.500
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.623
}
]
},
{
"resolution_limits": [48.310,5.950],
"number_observations": 2553,
"number_observations_unique": 718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 51.800
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}