Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3f8d4a3c38ed25c2f1c253c67d631df4",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 102.640,
"b": 102.640,
"c": 50.304,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.900,1.600],
"number_observations": 281204,
"number_observations_unique": 36042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 14240,
"number_observations_unique": 1764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.684
},
{
"type": "R(meas)",
"value": 0.730
},
{
"type": "R(pim)",
"value": 0.250
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.874
}
]
},
{
"resolution_limits": [45.900,8.760],
"number_observations": 1870,
"number_observations_unique": 276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 29.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}