Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4f349184ecacf566e5ead284eeed51e8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.045,
"b": 52.891,
"c": 44.402,
"alpha": 90.00,
"beta": 102.99,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.070,1.700],
"number_observations": 99217,
"number_observations_unique": 28162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 4454,
"number_observations_unique": 1465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.978
},
{
"type": "R(meas)",
"value": 1.197
},
{
"type": "R(pim)",
"value": 0.678
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.425
}
]
},
{
"resolution_limits": [55.070,8.990],
"number_observations": 801,
"number_observations_unique": 211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 23.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}