Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "38551ab46f9f602a17842078a6b6b974",
"space_group_name": "P 1",
"unit_cell": {
"a": 42.491,
"b": 49.755,
"c": 60.515,
"alpha": 89.97,
"beta": 72.20,
"gamma": 89.91
},
"wavelengths": [0.90000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.460,1.800],
"number_observations": 137451,
"number_observations_unique": 42444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 7765,
"number_observations_unique": 2543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.664
},
{
"type": "R(meas)",
"value": 0.799
},
{
"type": "R(pim)",
"value": 0.440
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.825
}
]
},
{
"resolution_limits": [40.460,9.000],
"number_observations": 1181,
"number_observations_unique": 336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}