Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d2fe9d7fb849a95d3d1a00ffc327bb86",
"space_group_name": "I 41 2 2",
"unit_cell": {
"a": 62.39,
"b": 62.39,
"c": 172.38,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.1300,2.300],
"number_observations_unique": 7947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 17.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 25.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 20669,
"number_observations_unique": 762,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.500
},
{
"type": "R(meas)",
"value": 5.603
},
{
"type": "R(pim)",
"value": 1.061
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 27.100
},
{
"type": "CC(1/2)",
"value": 0.521
}
]
},
{
"resolution_limits": [43.100,8.910],
"number_observations": 3616,
"number_observations_unique": 171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 61.800
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 21.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}