Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "593442be7c4bbc7fe9c662d5d3ce32be",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.493,
"b": 83.341,
"c": 59.039,
"alpha": 90.0,
"beta": 108.1,
"gamma": 90.0
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.550,1.340],
"number_observations": 429766,
"number_observations_unique": 84225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 36.500
},
{
"type": "Completeness",
"value": 73.900
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.340],
"number_observations": 273,
"number_observations_unique": 270,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.526
},
{
"type": "R(meas)",
"value": 3.572
},
{
"type": "R(pim)",
"value": 2.526
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 4.700
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [46.550,7.220],
"number_observations": 4879,
"number_observations_unique": 771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 123.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.300
}
]
}
]
}