Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ab6190ed4ed78f26e62e669202c2a17c",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 45.771,
"b": 63.312,
"c": 104.646,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [104.650,1.840],
"number_observations": 65157,
"number_observations_unique": 24921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.840],
"number_observations": 3979,
"number_observations_unique": 1518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.825
},
{
"type": "R(meas)",
"value": 1.012
},
{
"type": "R(pim)",
"value": 0.575
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.538
}
]
},
{
"resolution_limits": [104.650,9.010],
"number_observations": 574,
"number_observations_unique": 224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 28.200
},
{
"type": "Completeness",
"value": 82.300
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}