Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c3aa4da4f41969a656fb6df02e5e7a40",
"space_group_name": "P 1",
"unit_cell": {
"a": 75.112,
"b": 106.240,
"c": 184.600,
"alpha": 80.88,
"beta": 81.65,
"gamma": 70.02
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.200],
"number_observations_unique": 254196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.240,2.200],
"number_observations_unique": 8379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.484
},
{
"type": "Completeness",
"value": 62.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.280,2.240],
"number_observations_unique": 9579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.468
},
{
"type": "Completeness",
"value": 70.700
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.320,2.280],
"number_observations_unique": 11490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.407
},
{
"type": "Completeness",
"value": 86.400
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.370,2.320],
"number_observations_unique": 13157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.359
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.420,2.370],
"number_observations_unique": 13147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.480,2.420],
"number_observations_unique": 13089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.320
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.540,2.480],
"number_observations_unique": 13118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.610,2.540],
"number_observations_unique": 13182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.690,2.610],
"number_observations_unique": 13187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.770,2.690],
"number_observations_unique": 13145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.870,2.770],
"number_observations_unique": 13230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.990,2.870],
"number_observations_unique": 13201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.120,2.990],
"number_observations_unique": 13231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.290,3.120],
"number_observations_unique": 13206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.490,3.290],
"number_observations_unique": 13253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.760,3.490],
"number_observations_unique": 13285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [4.140,3.760],
"number_observations_unique": 13271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [4.740,4.140],
"number_observations_unique": 13346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [5.970,4.740],
"number_observations_unique": 13339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [50.000,5.970],
"number_observations_unique": 13361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.900
}
]
}
]
}