Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "57857b397efe5d46edd2938f85be1b10",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.360,
"b": 75.543,
"c": 97.947,
"alpha": 74.55,
"beta": 77.54,
"gamma": 67.48
},
"wavelengths": [0.97870],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.740,1.600],
"number_observations_unique": 182432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 18458,
"number_observations_unique": 9249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.463
},
{
"type": "R(meas)",
"value": 0.654
},
{
"type": "R(pim)",
"value": 0.463
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.665
}
]
},
{
"resolution_limits": [19.730,8.760],
"number_observations": 1970,
"number_observations_unique": 1007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 26.600
},
{
"type": "Completeness",
"value": 83.200
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}