Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5ddc12f9858ab26030a780bbf4a0b596",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 46.072,
"b": 168.748,
"c": 78.367,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.070,1.700],
"number_observations": 916192,
"number_observations_unique": 66334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 13.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 26639,
"number_observations_unique": 2701,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.943
},
{
"type": "R(meas)",
"value": 3.106
},
{
"type": "R(pim)",
"value": 0.973
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 77.700
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.219
}
]
},
{
"resolution_limits": [46.070,9.000],
"number_observations": 6675,
"number_observations_unique": 558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 55.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}