Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "83f19fb440dd3993181740cd0a0d9f08",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 79.830,
"b": 61.250,
"c": 112.672,
"alpha": 90.00,
"beta": 101.89,
"gamma": 90.00
},
"wavelengths": [0.97870],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.320,2.000],
"number_observations": 137128,
"number_observations_unique": 36163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 10185,
"number_observations_unique": 2696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.674
},
{
"type": "R(pim)",
"value": 0.405
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.812
}
]
},
{
"resolution_limits": [58.320,8.940],
"number_observations": 1474,
"number_observations_unique": 432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 26.200
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}