Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7587948cbcd0e08f2ba38af985eb49d6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 94.605,
"b": 151.937,
"c": 114.007,
"alpha": 90.00,
"beta": 94.63,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.923,2.29],
"number_observations_unique": 141182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "R(pim)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 5.1
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
"refln_shells": [
{
"resolution_limits": [47.92,12.54],
"number_observations_unique": 865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 15.5
},
{
"type": "Completeness",
"value": 93.9
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.33,2.29],
"number_observations_unique": 7109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.777
},
{
"type": "R(meas)",
"value": 1.090
},
{
"type": "R(pim)",
"value": 0.763
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.505
}
]
}
]
}