Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c634edf9e757a23066bdedcdd96b7c2c",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.523,
"b": 71.523,
"c": 150.639,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.440,1.150],
"number_observations": 1243538,
"number_observations_unique": 113647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 81.800
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.170,1.150],
"number_observations": 2229,
"number_observations_unique": 1321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.541
},
{
"type": "R(meas)",
"value": 0.711
},
{
"type": "R(pim)",
"value": 0.456
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 19.800
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.534
}
]
},
{
"resolution_limits": [29.440,6.300],
"number_observations": 12337,
"number_observations_unique": 1006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 39.700
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}