Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8fe5c5cf2a6bfb23527c7c3fb0fa1b33",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 37.08,
"b": 54.25,
"c": 104.32,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.250,1.040],
"number_observations_unique": 101730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.060,1.040],
"number_observations_unique": 5021,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.138
},
{
"type": "R(meas)",
"value": 1.295
},
{
"type": "R(pim)",
"value": 0.609
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.544
}
]
},
{
"resolution_limits": [54.320,2.820],
"number_observations_unique": 5462,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 46.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 1
}
]
}
]
}