Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a18afc4717ff0f4ca93ec032014b85c9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.929,
"b": 68.436,
"c": 138.492,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [138.560,2.090],
"number_observations": 262900,
"number_observations_unique": 38927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "R(meas)",
"value": 0.343
},
{
"type": "R(pim)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
"refln_shells": [
{
"resolution_limits": [2.150,2.090],
"number_observations": 21720,
"number_observations_unique": 3080,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.946
},
{
"type": "R(meas)",
"value": 4.259
},
{
"type": "R(pim)",
"value": 1.593
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.333
}
]
},
{
"resolution_limits": [138.560,8.870],
"number_observations": 3379,
"number_observations_unique": 607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 30.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.863
}
]
}
]
}