Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f5a20e6e08f576a7524b405faf7aac0d",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 86.694,
"b": 86.694,
"c": 106.871,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.900,1.680],
"number_observations": 211169,
"number_observations_unique": 46746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.680],
"number_observations": 9024,
"number_observations_unique": 2266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.602
},
{
"type": "R(pim)",
"value": 0.331
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.671
}
]
},
{
"resolution_limits": [28.900,9.040],
"number_observations": 1313,
"number_observations_unique": 326,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 35.800
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}