Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a018ce0da01bdf0be5b18eef09931f5f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 77.37,
"b": 67.33,
"c": 80.79,
"alpha": 90.00,
"beta": 98.56,
"gamma": 90.00
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.944,2.260],
"number_observations": 150826,
"number_observations_unique": 38587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.330,2.260],
"number_observations": 13443,
"number_observations_unique": 3551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.990
},
{
"type": "R(pim)",
"value": 0.579
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.631
}
]
},
{
"resolution_limits": [79.890,9.040],
"number_observations": 2417,
"number_observations_unique": 634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 31.600
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}