Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4155450aa75a82cf8fc86581e23c650f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 193.503,
"b": 57.861,
"c": 57.861,
"alpha": 90.0,
"beta": 107.4,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.160,1.650],
"number_observations": 114073,
"number_observations_unique": 47899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 65.200
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 4798,
"number_observations_unique": 2078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.280
},
{
"type": "R(meas)",
"value": 0.349
},
{
"type": "R(pim)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 57.700
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [46.160,9.040],
"number_observations": 1065,
"number_observations_unique": 338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 69.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}