Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e00fc5c1fdae25c7573c210542894761",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 103.251,
"b": 79.066,
"c": 67.951,
"alpha": 90.00,
"beta": 130.37,
"gamma": 90.00
},
"wavelengths": [0.91741],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.140,1.630],
"number_observations": 168749,
"number_observations_unique": 49690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.630],
"number_observations": 10224,
"number_observations_unique": 3071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.712
},
{
"type": "R(meas)",
"value": 0.847
},
{
"type": "R(pim)",
"value": 0.452
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 80.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.696
}
]
},
{
"resolution_limits": [29.140,7.300],
"number_observations": 1979,
"number_observations_unique": 564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 31.200
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}