Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ea616543cf29bbc3afaa0d4ab1fb2f36",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.511,
"b": 125.435,
"c": 40.318,
"alpha": 90.0,
"beta": 117.5,
"gamma": 90.0
},
"wavelengths": [0.96863],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.810,1.600],
"number_observations_unique": 86004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 7514,
"number_observations_unique": 2137,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.085
},
{
"type": "R(meas)",
"value": 1.283
},
{
"type": "R(pim)",
"value": 0.678
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.446
}
]
},
{
"resolution_limits": [41.810,8.760],
"number_observations": 948,
"number_observations_unique": 267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 45.200
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}