Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "95f0a29d6d04200f3fac821c41c0e76c",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 57.992,
"b": 57.992,
"c": 395.770,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [197.910,1.480],
"number_observations": 1115782,
"number_observations_unique": 67934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "R(meas)",
"value": 0.229
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.520,1.480],
"number_observations": 56028,
"number_observations_unique": 4884,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.035
},
{
"type": "R(meas)",
"value": 2.132
},
{
"type": "R(pim)",
"value": 0.627
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.536
}
]
},
{
"resolution_limits": [197.910,6.620],
"number_observations": 14414,
"number_observations_unique": 1009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.300
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}