Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "435aeae175158e4ba19fc3bcc3d49e5f",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 60.412,
"b": 60.412,
"c": 96.278,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.95386],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.320,1.100],
"number_observations": 1597483,
"number_observations_unique": 83125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.120,1.100],
"number_observations": 71273,
"number_observations_unique": 4081,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.267
},
{
"type": "R(meas)",
"value": 5.425
},
{
"type": "R(pim)",
"value": 1.286
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.500
},
{
"type": "CC(1/2)",
"value": 0.329
}
]
},
{
"resolution_limits": [52.320,6.020],
"number_observations": 10835,
"number_observations_unique": 596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.005
},
{
"type": "I/SigI",
"value": 107.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}