Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8ba3ff63999ef140eac1f6a248a84ea7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.978,
"b": 82.045,
"c": 144.176,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.86100],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.460,1.550],
"number_observations": 1563200,
"number_observations_unique": 116195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 22.100
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.550],
"number_observations_unique": 5552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.880
},
{
"type": "R(meas)",
"value": 0.915
},
{
"type": "R(pim)",
"value": 0.246
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [1.58,1.55],
"number_observations_unique": 830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}