Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2f4bae9155cc785fa22d63f8ff41f21a",
"space_group_name": "I 4 2 2",
"unit_cell": {
"a": 47.465,
"b": 47.465,
"c": 127.700,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91590],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.51,1.44],
"number_observations_unique": 13654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 14.5
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 24.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.48,1.44],
"number_observations_unique": 972,
"quality_factors": [
{
"type": "R(merge)",
"value": 9.999
},
{
"type": "R(meas)",
"value": 14.351
},
{
"type": "R(pim)",
"value": 3.129
},
{
"type": "I/SigI",
"value": 0.6
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 21.1
},
{
"type": "CC(1/2)",
"value": 0.591
}
]
},
{
"resolution_limits": [44.51,6.44],
"number_observations_unique": 202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 48.7
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 20.7
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
}
]
}