Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "76788ed4ca6819a20157c7a68d6aac5d",
"space_group_name": "P 43 2 2",
"unit_cell": {
"a": 42.595,
"b": 42.595,
"c": 217.310,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.600,1.860],
"number_observations": 257420,
"number_observations_unique": 17799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "R(meas)",
"value": 0.359
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.860],
"number_observations": 38275,
"number_observations_unique": 2503,
"quality_factors": [
{
"type": "R(merge)",
"value": 9.345
},
{
"type": "R(meas)",
"value": 9.666
},
{
"type": "R(pim)",
"value": 2.430
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.300
},
{
"type": "CC(1/2)",
"value": 0.644
}
]
},
{
"resolution_limits": [42.600,5.900],
"number_observations": 7903,
"number_observations_unique": 669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}