Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "83cc73ecf3739fa3dee5a9873e009ab0",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 110.387,
"b": 63.459,
"c": 169.077,
"alpha": 90.00,
"beta": 104.72,
"gamma": 90.00
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.550,2.730],
"number_observations": 192730,
"number_observations_unique": 28335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.880,2.730],
"number_observations": 31890,
"number_observations_unique": 4404,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.136
},
{
"type": "R(meas)",
"value": 1.224
},
{
"type": "R(pim)",
"value": 0.453
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [54.550,8.640],
"number_observations": 6248,
"number_observations_unique": 1013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}