Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4db33306f9732f233a17da9349f9b48f",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 126.365,
"b": 126.365,
"c": 41.668,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.360,2.090],
"number_observations": 225122,
"number_observations_unique": 22810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 21.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.090],
"number_observations": 14957,
"number_observations_unique": 1618,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.008
},
{
"type": "R(meas)",
"value": 1.069
},
{
"type": "R(pim)",
"value": 0.349
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.719
}
]
},
{
"resolution_limits": [29.360,9.350],
"number_observations": 2668,
"number_observations_unique": 279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 86.600
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}