Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e1cf3dbde24a6178c53cff2566a21858",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 73.368,
"b": 89.630,
"c": 90.787,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.520,1.490],
"number_observations": 604746,
"number_observations_unique": 93977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.520,1.490],
"number_observations": 23207,
"number_observations_unique": 4237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.538
},
{
"type": "R(meas)",
"value": 0.591
},
{
"type": "R(pim)",
"value": 0.237
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.807
}
]
},
{
"resolution_limits": [19.520,8.180],
"number_observations": 3887,
"number_observations_unique": 617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 93.400
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}