Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2d04c755e3da6df87562abeb4e67aa04",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.90,
"b": 45.57,
"c": 83.68,
"alpha": 90.0,
"beta": 101.9,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.290,1.590],
"number_observations": 214105,
"number_observations_unique": 57636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.590],
"number_observations": 16323,
"number_observations_unique": 4342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.593
},
{
"type": "R(meas)",
"value": 0.692
},
{
"type": "R(pim)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.766
}
]
},
{
"resolution_limits": [31.290,7.110],
"number_observations": 2613,
"number_observations_unique": 732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 62.500
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}