Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ef832938a9e6260891c8b4ec2d583e35",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 51.724,
"b": 56.257,
"c": 60.260,
"alpha": 90.0,
"beta": 110.4,
"gamma": 90.0
},
"wavelengths": [0.97626],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.480,1.780],
"number_observations": 93735,
"number_observations_unique": 29228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.780],
"number_observations": 14778,
"number_observations_unique": 4533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.490
},
{
"type": "R(meas)",
"value": 0.587
},
{
"type": "R(pim)",
"value": 0.319
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.801
}
]
},
{
"resolution_limits": [56.480,5.630],
"number_observations": 3235,
"number_observations_unique": 1033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 39.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}