Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5d215b6c0a71197b33315d73ab8ea30f",
"space_group_name": "P 43 2 2",
"unit_cell": {
"a": 67.245,
"b": 67.245,
"c": 277.104,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03322],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.280,1.860],
"number_observations": 1316645,
"number_observations_unique": 54867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.160
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.960,1.860],
"number_observations": 146465,
"number_observations_unique": 7812,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.406
},
{
"type": "R(meas)",
"value": 1.444
},
{
"type": "R(pim)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.700
},
{
"type": "CC(1/2)",
"value": 0.806
}
]
},
{
"resolution_limits": [69.280,5.880],
"number_observations": 45289,
"number_observations_unique": 2025,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 43.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.400
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}