Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b4345bcb83dcd81cdcb69449f739cd25",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 49.019,
"b": 79.297,
"c": 55.125,
"alpha": 90.00,
"beta": 105.86,
"gamma": 90.00
},
"wavelengths": [0.97931],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.150,1.930],
"number_observations": 102846,
"number_observations_unique": 29463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.930],
"number_observations": 6556,
"number_observations_unique": 1999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.340
},
{
"type": "R(meas)",
"value": 0.406
},
{
"type": "R(pim)",
"value": 0.218
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.854
}
]
},
{
"resolution_limits": [47.150,9.050],
"number_observations": 1055,
"number_observations_unique": 300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 42.300
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}