Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d1111828d0aaab0591a6f657885a8b9c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.212,
"b": 61.540,
"c": 65.104,
"alpha": 90.00,
"beta": 101.79,
"gamma": 90.00
},
"wavelengths": [0.97917],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.500],
"number_observations": 108108,
"number_observations_unique": 14863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.500],
"number_observations_unique": 723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.629
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [2.590,2.540],
"number_observations_unique": 747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.620
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.640,2.590],
"number_observations_unique": 740,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.460
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [2.690,2.640],
"number_observations_unique": 721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.494
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.750,2.690],
"number_observations_unique": 757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.445
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.820,2.750],
"number_observations_unique": 737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.389
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.890,2.820],
"number_observations_unique": 732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.328
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [2.960,2.890],
"number_observations_unique": 752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.050,2.960],
"number_observations_unique": 744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.150,3.050],
"number_observations_unique": 723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.260,3.150],
"number_observations_unique": 745,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.390,3.260],
"number_observations_unique": 730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.550,3.390],
"number_observations_unique": 731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [3.730,3.550],
"number_observations_unique": 761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [3.970,3.730],
"number_observations_unique": 733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [4.270,3.970],
"number_observations_unique": 751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [4.700,4.270],
"number_observations_unique": 756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [5.380,4.700],
"number_observations_unique": 743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [6.780,5.380],
"number_observations_unique": 758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [50.000,6.780],
"number_observations_unique": 779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.900
}
]
}
]
}