Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "54a7f66bb2fe3850306e79f58c6f14f5",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.128,
"b": 96.768,
"c": 57.955,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.980,1.790],
"number_observations": 145334,
"number_observations_unique": 22083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 19.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.790],
"number_observations": 6821,
"number_observations_unique": 1154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.832
},
{
"type": "R(meas)",
"value": 0.907
},
{
"type": "R(pim)",
"value": 0.355
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.813
}
]
},
{
"resolution_limits": [28.980,9.110],
"number_observations": 1193,
"number_observations_unique": 195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 60.600
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}