Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7b3541561b301a640bdae10cbf6ae617",
"space_group_name": "I 41 3 2",
"unit_cell": {
"a": 148.136,
"b": 148.136,
"c": 148.136,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [104.750,3.120],
"number_observations": 176922,
"number_observations_unique": 5069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 36.700
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 34.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.420,3.120],
"number_observations": 44893,
"number_observations_unique": 1213,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.447
},
{
"type": "R(meas)",
"value": 2.481
},
{
"type": "R(pim)",
"value": 0.405
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 37.000
},
{
"type": "CC(1/2)",
"value": 0.815
}
]
},
{
"resolution_limits": [104.750,7.640],
"number_observations": 12780,
"number_observations_unique": 416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.005
},
{
"type": "I/SigI",
"value": 132.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 30.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}