Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cbf07097ea065a7c5450210dce460927",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 27.978,
"b": 30.047,
"c": 53.871,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.96,1.41],
"number_observations_unique": 8784,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 11.0
},
{
"type": "Completeness",
"value": 95.2
},
{
"type": "Redundancy",
"value": 9.7
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.45,1.41],
"number_observations_unique": 452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.857
},
{
"type": "R(meas)",
"value": 1.008
},
{
"type": "R(pim)",
"value": 0.665
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Completeness",
"value": 70.9
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.492
}
]
},
{
"resolution_limits": [27.96,6.31],
"number_observations_unique": 136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 23.0
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 9.1
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}