Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e3c5dfe05ada3f0302b3b72b1edc6b63",
"space_group_name": "H 3",
"unit_cell": {
"a": 78.209,
"b": 78.209,
"c": 134.424,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100.000,1.500],
"number_observations": 563849,
"number_observations_unique": 48974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations_unique": 2406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.874
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [1.550,1.530],
"number_observations_unique": 2488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.726
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [1.580,1.550],
"number_observations_unique": 2412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.603
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [1.620,1.580],
"number_observations_unique": 2476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.513
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.400
}
]
},
{
"resolution_limits": [1.650,1.620],
"number_observations_unique": 2430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.417
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.400
}
]
},
{
"resolution_limits": [1.690,1.650],
"number_observations_unique": 2471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.348
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.400
}
]
},
{
"resolution_limits": [1.730,1.690],
"number_observations_unique": 2438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.400
}
]
},
{
"resolution_limits": [1.780,1.730],
"number_observations_unique": 2461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.500
}
]
},
{
"resolution_limits": [1.830,1.780],
"number_observations_unique": 2449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.500
}
]
},
{
"resolution_limits": [1.890,1.830],
"number_observations_unique": 2460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.500
}
]
},
{
"resolution_limits": [1.960,1.890],
"number_observations_unique": 2463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.600
}
]
},
{
"resolution_limits": [2.040,1.960],
"number_observations_unique": 2422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.600
}
]
},
{
"resolution_limits": [2.130,2.040],
"number_observations_unique": 2486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.600
}
]
},
{
"resolution_limits": [2.240,2.130],
"number_observations_unique": 2434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.600
}
]
},
{
"resolution_limits": [2.380,2.240],
"number_observations_unique": 2449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.500
}
]
},
{
"resolution_limits": [2.560,2.380],
"number_observations_unique": 2439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.700
}
]
},
{
"resolution_limits": [2.820,2.560],
"number_observations_unique": 2467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.700
}
]
},
{
"resolution_limits": [3.230,2.820],
"number_observations_unique": 2454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.800
}
]
},
{
"resolution_limits": [4.070,3.230],
"number_observations_unique": 2440,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.800
}
]
},
{
"resolution_limits": [100.000,4.070],
"number_observations_unique": 2429,
"quality_factors": [
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 11.300
}
]
}
]
}