Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b8713e93d6d9529eb51145213cb8940f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 56.374,
"b": 65.019,
"c": 59.198,
"alpha": 90.0,
"beta": 111.2,
"gamma": 90.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.190,1.190],
"number_observations": 1689252,
"number_observations_unique": 116431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 14.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.260,1.190],
"number_observations": 84896,
"number_observations_unique": 10370,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.478
},
{
"type": "R(meas)",
"value": 2.649
},
{
"type": "R(pim)",
"value": 0.908
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 56.400
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.341
}
]
},
{
"resolution_limits": [55.190,3.770],
"number_observations": 60379,
"number_observations_unique": 4135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 40.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}