Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5742ed54c8d8721df8fc28b751d5b6a5",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 83.248,
"b": 97.214,
"c": 58.436,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.220,1.780],
"number_observations": 141997,
"number_observations_unique": 22744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.780],
"number_observations": 4165,
"number_observations_unique": 959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.740
},
{
"type": "R(meas)",
"value": 0.831
},
{
"type": "R(pim)",
"value": 0.367
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 74.700
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.817
}
]
},
{
"resolution_limits": [29.220,9.070],
"number_observations": 1235,
"number_observations_unique": 205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 28.900
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}