Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "357f282eae39c9f4e7ab5261fab859a1",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 25.582,
"b": 25.582,
"c": 386.453,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [128.790,2.690],
"number_observations": 35557,
"number_observations_unique": 2730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [2.840,2.690],
"number_observations": 2143,
"number_observations_unique": 356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.690
},
{
"type": "R(pim)",
"value": 0.292
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.707
}
]
},
{
"resolution_limits": [128.790,8.510],
"number_observations": 1123,
"number_observations_unique": 142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}