Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "59b9a89c7ae3be4c071cc4e398d4edcb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 69.287,
"b": 131.732,
"c": 80.188,
"alpha": 90.00,
"beta": 110.35,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.250,1.880],
"number_observations": 370052,
"number_observations_unique": 106216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.910,1.880],
"number_observations": 18840,
"number_observations_unique": 5216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.508
},
{
"type": "R(meas)",
"value": 0.597
},
{
"type": "R(pim)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.851
}
]
},
{
"resolution_limits": [46.250,10.300],
"number_observations": 2429,
"number_observations_unique": 675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 37.900
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}