Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0f0a33b6a0820adb2721513e61df4bbc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.273,
"b": 51.434,
"c": 79.085,
"alpha": 90.00,
"beta": 92.16,
"gamma": 90.00
},
"wavelengths": [0.95373],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.110,1.410],
"number_observations": 457901,
"number_observations_unique": 67222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.440,1.410],
"number_observations": 18418,
"number_observations_unique": 3112,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.448
},
{
"type": "R(meas)",
"value": 1.585
},
{
"type": "R(pim)",
"value": 0.634
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.508
}
]
},
{
"resolution_limits": [43.110,7.750],
"number_observations": 2867,
"number_observations_unique": 441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 39.500
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}