Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b68923fcfe494ef04e4ff3bb9a0f1602",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 126.279,
"b": 126.279,
"c": 115.361,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [115.360,1.450],
"number_observations": 1196324,
"number_observations_unique": 164062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.450],
"number_observations": 59695,
"number_observations_unique": 7995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.662
},
{
"type": "R(meas)",
"value": 0.711
},
{
"type": "R(pim)",
"value": 0.259
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [115.360,7.940],
"number_observations": 7605,
"number_observations_unique": 1171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 25.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}