Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0e1b2530063d925f29486c1a7f5f8911",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.595,
"b": 123.148,
"c": 62.198,
"alpha": 90.00,
"beta": 94.24,
"gamma": 90.00
},
"wavelengths": [0.97626],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.700,1.850],
"number_observations": 190158,
"number_observations_unique": 50287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 11300,
"number_observations_unique": 3039,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.019
},
{
"type": "R(meas)",
"value": 3.513
},
{
"type": "R(pim)",
"value": 1.774
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.154
}
]
},
{
"resolution_limits": [43.700,9.070],
"number_observations": 1560,
"number_observations_unique": 443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 37.900
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}