Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f8d6f8a421c3f5fbd173221c84b34141",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 46.786,
"b": 184.506,
"c": 47.951,
"alpha": 90.00,
"beta": 102.78,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [184.510,2.800],
"number_observations": 38524,
"number_observations_unique": 19494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [2.950,2.800],
"number_observations": 5619,
"number_observations_unique": 2832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.459
},
{
"type": "R(meas)",
"value": 0.650
},
{
"type": "R(pim)",
"value": 0.459
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.707
}
]
},
{
"resolution_limits": [184.510,8.850],
"number_observations": 1246,
"number_observations_unique": 646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 24.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}