Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ecb4e8dbd05d7f83e42519d08d5f05bc",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 134.139,
"b": 60.567,
"c": 81.053,
"alpha": 90.00,
"beta": 116.88,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.300,2.23],
"number_observations_unique": 10830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 9.3
},
{
"type": "Completeness",
"value": 38.1
},
{
"type": "Redundancy",
"value": 13.1
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.66,2.23],
"number_observations_unique": 542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.851
},
{
"type": "R(meas)",
"value": 0.891
},
{
"type": "R(pim)",
"value": 0.258
},
{
"type": "Completeness",
"value": 4.7
},
{
"type": "Redundancy",
"value": 11.4
},
{
"type": "CC(1/2)",
"value": 0.847
}
]
},
{
"resolution_limits": [72.300,8.57],
"number_observations_unique": 541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.0
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}