Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d18b089c52a4a6166b89ecfe73bc26f8",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 97.075,
"b": 97.075,
"c": 98.955,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.28020],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.300],
"number_observations_unique": 12567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 10.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.300],
"number_observations_unique": 598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.598
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 10.200
}
]
},
{
"resolution_limits": [2.380,2.340],
"number_observations_unique": 608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.547
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 10.600
}
]
},
{
"resolution_limits": [2.430,2.380],
"number_observations_unique": 609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.585
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 10.600
}
]
},
{
"resolution_limits": [2.480,2.430],
"number_observations_unique": 607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.564
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [2.530,2.480],
"number_observations_unique": 600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.512
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [2.590,2.530],
"number_observations_unique": 615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.420
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [2.660,2.590],
"number_observations_unique": 607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.399
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [2.730,2.660],
"number_observations_unique": 610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [2.810,2.730],
"number_observations_unique": 614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.327
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [2.900,2.810],
"number_observations_unique": 631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [3.000,2.900],
"number_observations_unique": 614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [3.120,3.000],
"number_observations_unique": 615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [3.260,3.120],
"number_observations_unique": 628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [3.440,3.260],
"number_observations_unique": 632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [3.650,3.440],
"number_observations_unique": 631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 10.600
}
]
},
{
"resolution_limits": [3.930,3.650],
"number_observations_unique": 642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 10.600
}
]
},
{
"resolution_limits": [4.330,3.930],
"number_observations_unique": 648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 10.400
}
]
},
{
"resolution_limits": [4.950,4.330],
"number_observations_unique": 650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 10.200
}
]
},
{
"resolution_limits": [6.240,4.950],
"number_observations_unique": 670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 10.100
}
]
},
{
"resolution_limits": [50.000,6.240],
"number_observations_unique": 738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 9.300
}
]
}
]
}