Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f58ca7a2b8d5681c37edb2923c4d2384",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.256,
"b": 71.256,
"c": 150.413,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.340,1.570],
"number_observations": 683786,
"number_observations_unique": 54037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.570],
"number_observations": 27593,
"number_observations_unique": 2637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.835
},
{
"type": "R(meas)",
"value": 0.876
},
{
"type": "R(pim)",
"value": 0.262
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 0.821
}
]
},
{
"resolution_limits": [29.340,8.450],
"number_observations": 4957,
"number_observations_unique": 429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 31.600
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}