Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a4cda09c9c49ab5045125620bbb86b6d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 141.04,
"b": 111.02,
"c": 137.99,
"alpha": 90.00,
"beta": 117.41,
"gamma": 90.00
},
"wavelengths": [0.94000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.600,1.980],
"number_observations": 472091,
"number_observations_unique": 130317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.980],
"number_observations": 21737,
"number_observations_unique": 6391,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.053
},
{
"type": "R(pim)",
"value": 0.657
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.731
}
]
},
{
"resolution_limits": [62.600,10.840],
"number_observations": 2834,
"number_observations_unique": 805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 27.100
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}