Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "04e151b94a9b1046fdcd80083787595a",
"space_group_name": "P 21 2 2",
"unit_cell": {
"a": 66.796,
"b": 131.856,
"c": 225.173,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.230,2.600],
"number_observations": 249252,
"number_observations_unique": 62124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.670,2.600],
"number_observations": 18448,
"number_observations_unique": 4553,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.111
},
{
"type": "R(meas)",
"value": 1.280
},
{
"type": "R(pim)",
"value": 0.627
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.524
}
]
},
{
"resolution_limits": [65.230,11.630],
"number_observations": 2727,
"number_observations_unique": 791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 23.800
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}