Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1600f800692e1cd6b21e33120dc1d634",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.124,
"b": 70.159,
"c": 102.067,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96858],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.850,2.000],
"number_observations_unique": 25981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 24678,
"number_observations_unique": 1871,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.679
},
{
"type": "R(meas)",
"value": 2.788
},
{
"type": "R(pim)",
"value": 0.764
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.506
}
]
},
{
"resolution_limits": [19.840,8.940],
"number_observations": 3223,
"number_observations_unique": 311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 41.900
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}