Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "099e11f41627e6375313f34e5cbcf533",
"space_group_name": "P 1",
"unit_cell": {
"a": 30.137,
"b": 37.836,
"c": 55.065,
"alpha": 94.08,
"beta": 99.63,
"gamma": 104.98
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.280,1.40],
"number_observations_unique": 44495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 11971,
"number_observations_unique": 1918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "R(meas)",
"value": 0.254
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 85.200
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [36.280,7.640],
"number_observations": 2139,
"number_observations_unique": 273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}