Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1507c2a68a587e703478052bf41c24b7",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 126.381,
"b": 126.381,
"c": 41.683,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.360,1.950],
"number_observations": 276184,
"number_observations_unique": 28039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 23.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 18891,
"number_observations_unique": 2005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.699
},
{
"type": "R(meas)",
"value": 0.740
},
{
"type": "R(pim)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [29.360,8.720],
"number_observations": 3328,
"number_observations_unique": 342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 75.700
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}