Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "603b666319c2f7eaa8fe25f539b6e4f3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.521,
"b": 34.905,
"c": 37.564,
"alpha": 90.00,
"beta": 92.14,
"gamma": 90.00
},
"wavelengths": [0.94000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.540,1.600],
"number_observations": 81456,
"number_observations_unique": 13006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 3977,
"number_observations_unique": 637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.674
},
{
"type": "R(meas)",
"value": 0.736
},
{
"type": "R(pim)",
"value": 0.291
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.838
}
]
},
{
"resolution_limits": [37.540,8.760],
"number_observations": 418,
"number_observations_unique": 86,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 45.600
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}