Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d424e051eeb71b21f9f770177b06812a",
"space_group_name": "P 1",
"unit_cell": {
"a": 120.325,
"b": 123.229,
"c": 129.018,
"alpha": 62.34,
"beta": 77.21,
"gamma": 75.91
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.960,2.800],
"number_observations": 371086,
"number_observations_unique": 138383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 89.000
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
"refln_shells": [
{
"resolution_limits": [2.850,2.800],
"number_observations": 12038,
"number_observations_unique": 5590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.794
},
{
"type": "R(meas)",
"value": 1.003
},
{
"type": "R(pim)",
"value": 0.603
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 72.700
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.522
}
]
},
{
"resolution_limits": [29.960,15.340],
"number_observations": 2587,
"number_observations_unique": 803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 85.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
}
]
}