Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "f7ab7567addb2fefdcb814ee5e10ce68",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.485,
"b": 83.229,
"c": 58.780,
"alpha": 90.00,
"beta": 108.54,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.230,1.340],
"number_observations": 427107,
"number_observations_unique": 81258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 24.700
},
{
"type": "Completeness",
"value": 71.600
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.340],
"number_observations": 250,
"number_observations_unique": 246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.603
},
{
"type": "R(meas)",
"value": 0.853
},
{
"type": "R(pim)",
"value": 0.603
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 4.400
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [83.230,7.340],
"number_observations": 4670,
"number_observations_unique": 729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 87.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
}
]
}
]
}