Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3c465aaac104c87ee292a2fb7eb4494f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 69.57,
"b": 102.75,
"c": 179.69,
"alpha": 90.00,
"beta": 95.64,
"gamma": 90.00
},
"wavelengths": [0.98700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.620,1.900],
"number_observations": 655074,
"number_observations_unique": 97729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.900],
"number_observations": 22491,
"number_observations_unique": 4165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.714
},
{
"type": "R(meas)",
"value": 0.792
},
{
"type": "R(pim)",
"value": 0.333
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 84.600
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.798
}
]
},
{
"resolution_limits": [46.620,10.410],
"number_observations": 3848,
"number_observations_unique": 619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 31.800
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}