Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e56b0627e01dab74dd30a499387258a8",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 128.568,
"b": 132.696,
"c": 38.612,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.950],
"number_observations": 217954,
"number_observations_unique": 49226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.950],
"number_observations_unique": 2354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.020,1.980],
"number_observations_unique": 2441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.060,2.020],
"number_observations_unique": 2433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.100,2.060],
"number_observations_unique": 2432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.150,2.100],
"number_observations_unique": 2470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.200,2.150],
"number_observations_unique": 2397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.250,2.200],
"number_observations_unique": 2462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.310,2.250],
"number_observations_unique": 2417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.380,2.310],
"number_observations_unique": 2449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.460,2.380],
"number_observations_unique": 2461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.540,2.460],
"number_observations_unique": 2454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.650,2.540],
"number_observations_unique": 2449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.770,2.650],
"number_observations_unique": 2485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.910,2.770],
"number_observations_unique": 2441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [3.100,2.910],
"number_observations_unique": 2468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [3.330,3.100],
"number_observations_unique": 2459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [3.670,3.330],
"number_observations_unique": 2450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [4.200,3.670],
"number_observations_unique": 2517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [5.290,4.200],
"number_observations_unique": 2515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [50.000,5.290],
"number_observations_unique": 2672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.300
}
]
}
]
}