Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "df81633c21b7beab362d725dcf88b269",
"space_group_name": "I 2 3",
"unit_cell": {
"a": 135.78,
"b": 135.78,
"c": 135.78,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.890,2.560],
"number_observations": 149733,
"number_observations_unique": 13570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.680,2.560],
"number_observations": 18096,
"number_observations_unique": 1647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.594
},
{
"type": "R(meas)",
"value": 0.623
},
{
"type": "R(pim)",
"value": 0.187
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [67.890,8.870],
"number_observations": 3603,
"number_observations_unique": 364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 48.500
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}