Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "82311ae638938afac4161890846279db",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 62.48,
"b": 57.59,
"c": 79.44,
"alpha": 90.00,
"beta": 98.14,
"gamma": 90.00
},
"wavelengths": [0.97800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.460,1.590],
"number_observations": 507892,
"number_observations_unique": 74189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.590],
"number_observations": 32747,
"number_observations_unique": 5089,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.418
},
{
"type": "R(meas)",
"value": 1.541
},
{
"type": "R(pim)",
"value": 0.593
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.534
}
]
},
{
"resolution_limits": [46.460,7.130],
"number_observations": 5497,
"number_observations_unique": 884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 43.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}