Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ccf8d194a79bcfb9cd95f7a6b6bebfe4",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 78.483,
"b": 78.483,
"c": 37.104,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.19500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.27,1.450],
"number_observations_unique": 21165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 24.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.450],
"number_observations": 8312,
"number_observations_unique": 1016,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.325
},
{
"type": "R(meas)",
"value": 1.416
},
{
"type": "R(pim)",
"value": 0.487
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.682
}
]
},
{
"resolution_limits": [39.240,7.940],
"number_observations": 1563,
"number_observations_unique": 171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 64.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}