Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "003042e6b5dfb0d42a924fbf0019e938",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.813,
"b": 57.978,
"c": 114.488,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.790,1.590],
"number_observations": 295483,
"number_observations_unique": 46934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.590],
"number_observations": 22096,
"number_observations_unique": 3399,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.366
},
{
"type": "R(meas)",
"value": 1.483
},
{
"type": "R(pim)",
"value": 0.572
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.747
}
]
},
{
"resolution_limits": [51.790,7.110],
"number_observations": 3790,
"number_observations_unique": 622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 54.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}