Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2cd662b4d1759f5bf46444b3468a5f59",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 70.924,
"b": 70.924,
"c": 149.898,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.210,1.790],
"number_observations": 462444,
"number_observations_unique": 36636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 21.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.790],
"number_observations": 24157,
"number_observations_unique": 2129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.832
},
{
"type": "R(meas)",
"value": 0.871
},
{
"type": "R(pim)",
"value": 0.251
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.897
}
]
},
{
"resolution_limits": [29.210,8.790],
"number_observations": 4089,
"number_observations_unique": 384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 65.400
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}