Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "288fa3d5211418b6738031e469a21029",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.147,
"b": 41.362,
"c": 72.047,
"alpha": 90.00,
"beta": 103.97,
"gamma": 90.00
},
"wavelengths": [0.97750],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.090,1.4570],
"number_observations_unique": 41707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.460],
"number_observations": 6326,
"number_observations_unique": 1981,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.798
},
{
"type": "R(meas)",
"value": 2.142
},
{
"type": "R(pim)",
"value": 1.152
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.217
}
]
},
{
"resolution_limits": [32.090,7.980],
"number_observations": 836,
"number_observations_unique": 285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 26.700
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}