Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9aab8d1a2ce5c1ba7a7e63bfcee19cd3",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.662,
"b": 112.876,
"c": 62.646,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96862],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.690,1.400],
"number_observations_unique": 57928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 5547,
"number_observations_unique": 2848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "R(meas)",
"value": 0.386
},
{
"type": "R(pim)",
"value": 0.273
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.787
}
]
},
{
"resolution_limits": [66.690,7.670],
"number_observations": 686,
"number_observations_unique": 413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
}
]
}