Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3fe237bde197319621d55549f9ce24e4",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 72.694,
"b": 47.048,
"c": 42.712,
"alpha": 90.00,
"beta": 97.42,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.700,1.500],
"number_observations_unique": 37874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 1915,
"number_observations_unique": 935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.638
},
{
"type": "R(meas)",
"value": 0.827
},
{
"type": "R(pim)",
"value": 0.518
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 83.200
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.784
}
]
},
{
"resolution_limits": [19.700,8.220],
"number_observations": 323,
"number_observations_unique": 133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 28.800
},
{
"type": "Completeness",
"value": 88.900
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}