Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ac4bdd3f2f300a68b87c955735c98bd8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 153.309,
"b": 114.304,
"c": 68.574,
"alpha": 90.00,
"beta": 96.43,
"gamma": 90.00
},
"wavelengths": [1.10000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.600],
"number_observations_unique": 145750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations_unique": 4888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.653
},
{
"type": "Completeness",
"value": 63.800
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [1.660,1.630],
"number_observations_unique": 5529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.636
},
{
"type": "Completeness",
"value": 72.300
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [1.690,1.660],
"number_observations_unique": 6243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.598
},
{
"type": "Completeness",
"value": 81.900
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [1.720,1.690],
"number_observations_unique": 7313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.501
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [1.760,1.720],
"number_observations_unique": 7517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.455
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [1.800,1.760],
"number_observations_unique": 7536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [1.850,1.800],
"number_observations_unique": 7532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.297
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [1.900,1.850],
"number_observations_unique": 7544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 7562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.020,1.950],
"number_observations_unique": 7552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.090,2.020],
"number_observations_unique": 7589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.170,2.090],
"number_observations_unique": 7615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.270,2.170],
"number_observations_unique": 7627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.390,2.270],
"number_observations_unique": 7650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.540,2.390],
"number_observations_unique": 7648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.740,2.540],
"number_observations_unique": 7697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [3.010,2.740],
"number_observations_unique": 7647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [3.450,3.010],
"number_observations_unique": 7708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [4.340,3.450],
"number_observations_unique": 7717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [50.000,4.340],
"number_observations_unique": 7636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.900
}
]
}
]
}