Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9bc1a96507d0ab46e8e5903dc5d9ac59",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 117.61,
"b": 117.61,
"c": 154.01,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.12709],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.670,2.910],
"number_observations": 548565,
"number_observations_unique": 27572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.990,2.910],
"number_observations": 42125,
"number_observations_unique": 1995,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.786
},
{
"type": "R(meas)",
"value": 1.830
},
{
"type": "R(pim)",
"value": 0.394
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.100
},
{
"type": "CC(1/2)",
"value": 0.690
}
]
},
{
"resolution_limits": [38.670,13.010],
"number_observations": 4974,
"number_observations_unique": 340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 37.800
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 14.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}