Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ecfe8cbf91b5a984e7fdde7aef9a6b35",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 97.278,
"b": 97.278,
"c": 46.041,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.440,2.300],
"number_observations_unique": 11309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 4356,
"number_observations_unique": 1095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.566
},
{
"type": "R(meas)",
"value": 0.657
},
{
"type": "R(pim)",
"value": 0.327
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.694
}
]
},
{
"resolution_limits": [33.440,8.910],
"number_observations": 796,
"number_observations_unique": 210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 21.700
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}