Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1e922b192906ae488004eca3d4b6f0a9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.026,
"b": 91.867,
"c": 133.302,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [75.640,2.010],
"number_observations_unique": 31436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.060,2.010],
"number_observations": 10112,
"number_observations_unique": 3017,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.182
},
{
"type": "R(meas)",
"value": 1.411
},
{
"type": "R(pim)",
"value": 0.759
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.544
}
]
},
{
"resolution_limits": [75.640,8.990],
"number_observations": 1445,
"number_observations_unique": 511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 28.900
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}