Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "59cd6f16cd4b9279eb7b38392ce048cb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.58,
"b": 57.98,
"c": 50.30,
"alpha": 90.00,
"beta": 116.68,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [23.780,1.630],
"number_observations": 101156,
"number_observations_unique": 30436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.630],
"number_observations": 7571,
"number_observations_unique": 2244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.991
},
{
"type": "R(meas)",
"value": 1.180
},
{
"type": "R(pim)",
"value": 0.634
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.484
}
]
},
{
"resolution_limits": [23.780,7.290],
"number_observations": 1149,
"number_observations_unique": 342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 43.700
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}