Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "04eb61badafec15596f112f7b8cdd5c4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 61.386,
"b": 66.450,
"c": 108.042,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.090,1.680],
"number_observations": 348727,
"number_observations_unique": 50203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.680],
"number_observations": 11737,
"number_observations_unique": 2049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.970
},
{
"type": "R(meas)",
"value": 1.064
},
{
"type": "R(pim)",
"value": 0.424
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 79.400
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.601
}
]
},
{
"resolution_limits": [45.090,9.070],
"number_observations": 2105,
"number_observations_unique": 376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 27.900
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}