Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7160561a9a93a9f7046a39512122b3ac",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 62.594,
"b": 76.043,
"c": 118.562,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97242],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.327,1.638],
"number_observations": 106229,
"number_observations_unique": 20168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.638],
"number_observations": 3913,
"number_observations_unique": 1009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.790
},
{
"type": "R(meas)",
"value": 0.913
},
{
"type": "R(pim)",
"value": 0.446
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 73.900
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.689
}
]
},
{
"resolution_limits": [48.327,5.477],
"number_observations": 5043,
"number_observations_unique": 1007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 53.800
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}