Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1f67ecce29635308e8c60a91197b2ee1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 34.301,
"b": 49.745,
"c": 80.839,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97919],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [26.670,1.240],
"number_observations_unique": 38564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 25.100
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.270,1.240],
"number_observations": 6150,
"number_observations_unique": 2067,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 71.100
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [26.660,5.550],
"number_observations": 2551,
"number_observations_unique": 485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 63.700
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
}
]
}