Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4804d11f2a010bfcfde3c37f1e8ac116",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 200.03,
"b": 69.65,
"c": 97.49,
"alpha": 90.00,
"beta": 105.75,
"gamma": 90.00
},
"wavelengths": [0.97887],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.010,2.840],
"number_observations": 127445,
"number_observations_unique": 30587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.910,2.840],
"number_observations": 8757,
"number_observations_unique": 2238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.699
},
{
"type": "R(pim)",
"value": 0.400
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.812
}
]
},
{
"resolution_limits": [46.010,12.700],
"number_observations": 1314,
"number_observations_unique": 374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 32.200
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}