Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "f10f291c7ee882bc1201381d71b78761",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 23.942,
"b": 13.752,
"c": 64.106,
"alpha": 90.00,
"beta": 99.25,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.640,1.2980],
"number_observations_unique": 10264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "R(meas)",
"value": 0.213
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 25.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.300],
"number_observations": 10523,
"number_observations_unique": 473,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.485
},
{
"type": "R(meas)",
"value": 2.542
},
{
"type": "R(pim)",
"value": 0.523
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 89.500
},
{
"type": "Redundancy",
"value": 22.200
},
{
"type": "CC(1/2)",
"value": 0.661
}
]
},
{
"resolution_limits": [31.640,7.110],
"number_observations": 1729,
"number_observations_unique": 80,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 28.400
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 21.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}