Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ab3e84b31580baa19074d474f5f365cf",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 89.169,
"b": 60.197,
"c": 84.436,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.585,1.550],
"number_observations_unique": 64876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.550],
"number_observations": 35650,
"number_observations_unique": 6196,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.437
},
{
"type": "R(meas)",
"value": 1.580
},
{
"type": "R(pim)",
"value": 0.651
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.568
}
]
},
{
"resolution_limits": [44.580,6.000],
"number_observations": 6294,
"number_observations_unique": 1262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 38.800
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}