Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c2a7075a58c2bb15a2cb66bf5c531b3c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 36.69,
"b": 78.65,
"c": 47.54,
"alpha": 90.00,
"beta": 93.49,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.45,1.760],
"number_observations_unique": 21704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 82.300
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.760],
"number_observations_unique": 1227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.644
},
{
"type": "R(meas)",
"value": 0.846
},
{
"type": "R(pim)",
"value": 0.542
},
{
"type": "Completeness",
"value": 84.800
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.634
}
]
},
{
"resolution_limits": [36.620,8.990],
"number_observations_unique": 161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 77.000
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}