Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dc5e15ca7b6e1868c69c5600c58542c7",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 122.148,
"b": 150.429,
"c": 76.927,
"alpha": 90.00,
"beta": 98.77,
"gamma": 90.00
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.310,2.550],
"number_observations": 149894,
"number_observations_unique": 44412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.650,2.550],
"number_observations": 16394,
"number_observations_unique": 4664,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.093
},
{
"type": "R(meas)",
"value": 1.291
},
{
"type": "R(pim)",
"value": 0.682
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.649
}
]
},
{
"resolution_limits": [46.310,9.540],
"number_observations": 2639,
"number_observations_unique": 823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 35.800
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}