Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6542f58eff38c33bc7be0d6d989ead68",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.307,
"b": 88.547,
"c": 150.004,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.310,2.250],
"number_observations": 199389,
"number_observations_unique": 31447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,2.250],
"number_observations": 18155,
"number_observations_unique": 2859,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.325
},
{
"type": "R(meas)",
"value": 1.445
},
{
"type": "R(pim)",
"value": 0.571
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.521
}
]
},
{
"resolution_limits": [48.310,9.000],
"number_observations": 2893,
"number_observations_unique": 583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 24.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}