Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d9c56a4f03b4212df043d619701a05ba",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.392,
"b": 45.225,
"c": 62.631,
"alpha": 90.0,
"beta": 109.9,
"gamma": 90.0
},
"wavelengths": [0.91590],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.97,1.580],
"number_observations_unique": 41463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.580],
"number_observations": 26550,
"number_observations_unique": 5962,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.379
},
{
"type": "R(meas)",
"value": 1.572
},
{
"type": "R(pim)",
"value": 0.731
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.418
}
]
},
{
"resolution_limits": [53.970,4.990],
"number_observations": 10362,
"number_observations_unique": 1400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 29.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}