Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "76fc2ebdc5842f064fd84f9d46aca94b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.37,
"b": 129.40,
"c": 130.33,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.840,1.940],
"number_observations": 1155816,
"number_observations_unique": 85149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 13.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.990,1.940],
"number_observations": 73731,
"number_observations_unique": 5773,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.848
},
{
"type": "R(meas)",
"value": 1.923
},
{
"type": "R(pim)",
"value": 0.523
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.582
}
]
},
{
"resolution_limits": [46.840,8.660],
"number_observations": 12259,
"number_observations_unique": 1094,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 49.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}