Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "443d276a702e76f5792091ec8cf54906",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 49.160,
"b": 114.703,
"c": 164.447,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.6091,1.770],
"number_observations_unique": 45274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.770],
"number_observations": 12566,
"number_observations_unique": 2372,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.623
},
{
"type": "R(meas)",
"value": 5.106
},
{
"type": "R(pim)",
"value": 2.132
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.303
}
]
},
{
"resolution_limits": [39.600,9.050],
"number_observations": 4205,
"number_observations_unique": 399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 48.900
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}