Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "0eb71e21f7c48ac388a7fa8c0c4bef51",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 83.54,
"b": 83.54,
"c": 132.43,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.680,2.450],
"number_observations": 403140,
"number_observations_unique": 20242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 21.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.510,2.450],
"number_observations": 30511,
"number_observations_unique": 1450,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.571
},
{
"type": "R(meas)",
"value": 2.634
},
{
"type": "R(pim)",
"value": 0.569
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.000
},
{
"type": "CC(1/2)",
"value": 0.627
}
]
},
{
"resolution_limits": [37.680,10.960],
"number_observations": 3456,
"number_observations_unique": 264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 60.600
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}