Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "31781d0434b14f5726c485f92301a053",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 125.16,
"b": 108.00,
"c": 75.62,
"alpha": 90.00,
"beta": 109.21,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.410,1.950],
"number_observations": 233271,
"number_observations_unique": 67837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 17587,
"number_observations_unique": 4963,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.072
},
{
"type": "R(meas)",
"value": 1.263
},
{
"type": "R(pim)",
"value": 0.663
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.621
}
]
},
{
"resolution_limits": [71.410,8.720],
"number_observations": 2789,
"number_observations_unique": 787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 35.900
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}