Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a219feb1581561c1510c1e5e68e67e38",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 34.015,
"b": 34.015,
"c": 87.534,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.85000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.770,0.960],
"number_observations": 645142,
"number_observations_unique": 31082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 30.300
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 20.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [0.980,0.960],
"number_observations": 8434,
"number_observations_unique": 1104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.805
},
{
"type": "R(meas)",
"value": 0.863
},
{
"type": "R(pim)",
"value": 0.301
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 71.100
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.779
}
]
},
{
"resolution_limits": [43.770,5.260],
"number_observations": 5071,
"number_observations_unique": 273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "R(meas)",
"value": 0.015
},
{
"type": "R(pim)",
"value": 0.004
},
{
"type": "I/SigI",
"value": 99.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 18.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}