Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bda165b93b59e00862508688b69ae915",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.79,
"b": 57.56,
"c": 114.50,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.910,1.580],
"number_observations": 302784,
"number_observations_unique": 47699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.580],
"number_observations": 23312,
"number_observations_unique": 3462,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.549
},
{
"type": "R(meas)",
"value": 1.679
},
{
"type": "R(pim)",
"value": 0.641
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.603
}
]
},
{
"resolution_limits": [27.910,7.070],
"number_observations": 3680,
"number_observations_unique": 621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 45.000
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}