Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7087dda57b09e39f6d532509321600a7",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.168,
"b": 96.560,
"c": 57.548,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.770,2.160],
"number_observations": 74579,
"number_observations_unique": 12089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.230,2.160],
"number_observations": 3614,
"number_observations_unique": 824,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.594
},
{
"type": "R(meas)",
"value": 1.792
},
{
"type": "R(pim)",
"value": 0.791
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 77.300
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.556
}
]
},
{
"resolution_limits": [28.770,8.930],
"number_observations": 1246,
"number_observations_unique": 209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 25.600
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}