Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a631e5b6933adaba0b8495efb6c79f1e",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.470,
"b": 71.470,
"c": 150.654,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.420,1.660],
"number_observations": 607842,
"number_observations_unique": 46907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.660],
"number_observations": 27349,
"number_observations_unique": 2224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.866
},
{
"type": "R(meas)",
"value": 0.903
},
{
"type": "R(pim)",
"value": 0.253
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.858
}
]
},
{
"resolution_limits": [29.420,9.100],
"number_observations": 3684,
"number_observations_unique": 356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 35.800
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}