Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "33a80a81c9ac0cda441b52898af6221e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.098,
"b": 56.829,
"c": 115.157,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.820,1.410],
"number_observations": 415738,
"number_observations_unique": 66787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.410],
"number_observations": 25839,
"number_observations_unique": 4881,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.537
},
{
"type": "R(meas)",
"value": 1.709
},
{
"type": "R(pim)",
"value": 0.741
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.532
}
]
},
{
"resolution_limits": [56.820,6.310],
"number_observations": 5231,
"number_observations_unique": 871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 21.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}