Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8f6885d01c38b59ea5e316587000941b",
"space_group_name": "H 3",
"unit_cell": {
"a": 50.169,
"b": 50.169,
"c": 147.968,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.688,1.450],
"number_observations": 140021,
"number_observations_unique": 24639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 19.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.450],
"number_observations": 20136,
"number_observations_unique": 3600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.335
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [1.620,1.530],
"number_observations": 19255,
"number_observations_unique": 3425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "R(pim)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [1.730,1.620],
"number_observations": 18147,
"number_observations_unique": 3204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [1.870,1.730],
"number_observations": 16685,
"number_observations_unique": 2938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [2.050,1.870],
"number_observations": 15712,
"number_observations_unique": 2757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [2.290,2.050],
"number_observations": 14216,
"number_observations_unique": 2489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [2.650,2.290],
"number_observations": 12426,
"number_observations_unique": 2166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [3.240,2.650],
"number_observations": 10455,
"number_observations_unique": 1838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 17.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [4.590,3.240],
"number_observations": 8395,
"number_observations_unique": 1442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 23.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [41.688,4.590],
"number_observations": 4594,
"number_observations_unique": 780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.900
}
]
}
]
}