Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ef0cbc6650c4e2cb373b615f7ae3ec45",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 63.532,
"b": 74.848,
"c": 119.339,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.87313],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.67,1.941],
"number_observations_unique": 136858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 88.500
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.125,1.941],
"number_observations": 3345,
"number_observations_unique": 649,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.023
},
{
"type": "R(meas)",
"value": 1.143
},
{
"type": "R(pim)",
"value": 0.501
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 61.600
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.542
}
]
},
{
"resolution_limits": [59.669,6.163],
"number_observations": 2266,
"number_observations_unique": 648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 28.100
},
{
"type": "Completeness",
"value": 86.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}