Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "d6edf661dc054978693cb6cee40a929e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.551,
"b": 84.067,
"c": 59.091,
"alpha": 90.0,
"beta": 108.1,
"gamma": 90.0
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.040,1.590],
"number_observations": 402847,
"number_observations_unique": 68630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.590],
"number_observations": 8661,
"number_observations_unique": 3030,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.011
},
{
"type": "R(meas)",
"value": 2.500
},
{
"type": "R(pim)",
"value": 1.441
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 86.100
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.337
}
]
},
{
"resolution_limits": [84.040,8.560],
"number_observations": 2921,
"number_observations_unique": 475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 80.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
}
]
}