Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "8340d008e9c609f4ef4e55eaabe86491",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 82.87,
"b": 82.87,
"c": 133.38,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.800,2.540],
"number_observations": 357431,
"number_observations_unique": 18080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 19.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.610,2.540],
"number_observations": 27659,
"number_observations_unique": 1320,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.748
},
{
"type": "R(meas)",
"value": 3.840
},
{
"type": "R(pim)",
"value": 0.833
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.000
},
{
"type": "CC(1/2)",
"value": 0.550
}
]
},
{
"resolution_limits": [37.800,11.360],
"number_observations": 2939,
"number_observations_unique": 242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 56.600
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}