Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8737d04bba1bcbb8f3952752b99635b8",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 67.34,
"b": 91.21,
"c": 98.79,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97919],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.090,1.800],
"number_observations": 368084,
"number_observations_unique": 28506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 17.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.800],
"number_observations": 27762,
"number_observations_unique": 2080,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.437
},
{
"type": "R(meas)",
"value": 1.494
},
{
"type": "R(pim)",
"value": 0.407
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.698
}
]
},
{
"resolution_limits": [30.090,8.050],
"number_observations": 3328,
"number_observations_unique": 361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 42.000
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}