Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7f6c97070c342049f115e16b00555a57",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.113,
"b": 70.211,
"c": 85.247,
"alpha": 102.75,
"beta": 95.95,
"gamma": 112.48
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.240,2.110],
"number_observations": 229156,
"number_observations_unique": 66991,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.110],
"number_observations": 15252,
"number_observations_unique": 4295,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.871
},
{
"type": "R(meas)",
"value": 2.201
},
{
"type": "R(pim)",
"value": 1.147
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.377
}
]
},
{
"resolution_limits": [81.240,9.910],
"number_observations": 2546,
"number_observations_unique": 654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 28.000
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}