Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8562ce717a2b94f446ac4cb8426f5940",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.048,
"b": 97.499,
"c": 58.305,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.150,1.890],
"number_observations": 121479,
"number_observations_unique": 19032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.890],
"number_observations": 5611,
"number_observations_unique": 1061,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.067
},
{
"type": "R(meas)",
"value": 1.173
},
{
"type": "R(pim)",
"value": 0.476
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 86.100
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.767
}
]
},
{
"resolution_limits": [29.150,9.050],
"number_observations": 1231,
"number_observations_unique": 203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 57.000
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}