Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6a3f4c27d552c27698b4da0ddb11cca0",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 115.44,
"b": 66.57,
"c": 56.96,
"alpha": 90.00,
"beta": 92.01,
"gamma": 90.00
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.902,1.95],
"number_observations_unique": 30593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 15.9
},
{
"type": "Completeness",
"value": 97.1
},
{
"type": "Redundancy",
"value": 4.7
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [40.87,8.94],
"number_observations_unique": 2199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.00,1.95],
"number_observations_unique": 8577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.740
},
{
"type": "R(meas)",
"value": 0.954
},
{
"type": "R(pim)",
"value": 0.594
},
{
"type": "Redundancy",
"value": 4.0
},
{
"type": "CC(1/2)",
"value": 0.682
}
]
}
]
}