Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0133b05159c4e948ace475047720ada7",
"space_group_name": "H 3",
"unit_cell": {
"a": 178.560,
"b": 178.560,
"c": 116.881,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.93340,0.93340],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.260,1.610],
"number_observations": 510741,
"number_observations_unique": 179995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.610],
"number_observations": 25085,
"number_observations_unique": 8994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.475
},
{
"type": "R(meas)",
"value": 0.589
},
{
"type": "R(pim)",
"value": 0.345
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.799
}
]
},
{
"resolution_limits": [40.260,8.820],
"number_observations": 2919,
"number_observations_unique": 1058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 23.100
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}