Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f8c5d6cbb999369d9b9ec34db49d37bd",
"space_group_name": "P 1",
"unit_cell": {
"a": 27.94,
"b": 47.37,
"c": 69.96,
"alpha": 85.24,
"beta": 87.21,
"gamma": 88.32
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.190,2.600],
"number_observations_unique": 17459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.720,2.600],
"number_observations": 2316,
"number_observations_unique": 1299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "R(meas)",
"value": 0.357
},
{
"type": "R(pim)",
"value": 0.252
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.913
}
]
},
{
"resolution_limits": [47.190,9.010],
"number_observations": 365,
"number_observations_unique": 218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 19.800
},
{
"type": "Completeness",
"value": 83.800
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}