Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "93b35133d738dd68e72ae3acc1633cba",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.827,
"b": 67.703,
"c": 138.736,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [138.680,1.860],
"number_observations": 369699,
"number_observations_unique": 54511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.211
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.860],
"number_observations": 22515,
"number_observations_unique": 3266,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.806
},
{
"type": "R(meas)",
"value": 4.117
},
{
"type": "R(pim)",
"value": 1.555
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.343
}
]
},
{
"resolution_limits": [138.680,9.110],
"number_observations": 3112,
"number_observations_unique": 564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 46.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
}
]
}