Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5b377d4c6d61b93300e9165fb1e46b7c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 51.910,
"b": 163.780,
"c": 118.239,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.3496,2.300],
"number_observations_unique": 87439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.319
},
{
"type": "R(meas)",
"value": 0.372
},
{
"type": "R(pim)",
"value": 0.188
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.300],
"number_observations": 16310,
"number_observations_unique": 4485,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.078
},
{
"type": "R(meas)",
"value": 3.561
},
{
"type": "R(pim)",
"value": 1.767
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.236
}
]
},
{
"resolution_limits": [67.320,12.390],
"number_observations": 2197,
"number_observations_unique": 592,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
}
]
}