Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "27e4a59f2859c590d8a4278ee1bf4df2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 71.871,
"b": 92.422,
"c": 87.260,
"alpha": 90.00,
"beta": 108.88,
"gamma": 90.00
},
"wavelengths": [1.00002],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.770,2.480],
"number_observations": 264382,
"number_observations_unique": 38157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 17.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.610,2.480],
"number_observations": 38617,
"number_observations_unique": 5511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.985
},
{
"type": "R(meas)",
"value": 1.064
},
{
"type": "R(pim)",
"value": 0.398
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.749
}
]
},
{
"resolution_limits": [54.770,7.840],
"number_observations": 8573,
"number_observations_unique": 1267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 46.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}