Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "92c0fc23baded7e5e594dd517376a8d1",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 94.068,
"b": 94.068,
"c": 91.390,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [18.830,2.350],
"number_observations": 238917,
"number_observations_unique": 17581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 22.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 13.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.440,2.350],
"number_observations": 24333,
"number_observations_unique": 1749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.940
},
{
"type": "R(meas)",
"value": 0.975
},
{
"type": "R(pim)",
"value": 0.260
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 13.900
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [18.830,8.790],
"number_observations": 3049,
"number_observations_unique": 360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 50.200
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}