Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a3273ba539c3105334c23a04e0fe3f3a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.698,
"b": 67.060,
"c": 131.641,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25.000,1.94],
"number_observations_unique": 36410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 13.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.950],
"number_observations_unique": 1687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.806
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 12.700
}
]
},
{
"resolution_limits": [2.020,1.980],
"number_observations_unique": 1713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.682
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 12.600
}
]
},
{
"resolution_limits": [2.060,2.020],
"number_observations_unique": 1757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.598
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 12.600
}
]
},
{
"resolution_limits": [2.100,2.060],
"number_observations_unique": 1753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.524
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 12.500
}
]
},
{
"resolution_limits": [2.150,2.100],
"number_observations_unique": 1796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.458
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 12.500
}
]
},
{
"resolution_limits": [2.200,2.150],
"number_observations_unique": 1771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.339
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 12.700
}
]
},
{
"resolution_limits": [2.250,2.200],
"number_observations_unique": 1810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.290
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 12.600
}
]
},
{
"resolution_limits": [2.310,2.250],
"number_observations_unique": 1821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 12.800
}
]
},
{
"resolution_limits": [2.380,2.310],
"number_observations_unique": 1788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 13.200
}
]
},
{
"resolution_limits": [2.460,2.380],
"number_observations_unique": 1811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 13.200
}
]
},
{
"resolution_limits": [2.540,2.460],
"number_observations_unique": 1837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 13.300
}
]
},
{
"resolution_limits": [2.650,2.540],
"number_observations_unique": 1831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 13.700
}
]
},
{
"resolution_limits": [2.770,2.650],
"number_observations_unique": 1817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 14.000
}
]
},
{
"resolution_limits": [2.910,2.770],
"number_observations_unique": 1849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 14.300
}
]
},
{
"resolution_limits": [3.090,2.910],
"number_observations_unique": 1840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 14.600
}
]
},
{
"resolution_limits": [3.330,3.090],
"number_observations_unique": 1848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 14.500
}
]
},
{
"resolution_limits": [3.670,3.330],
"number_observations_unique": 1865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 14.500
}
]
},
{
"resolution_limits": [4.200,3.670],
"number_observations_unique": 1889,
"quality_factors": [
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 14.300
}
]
},
{
"resolution_limits": [5.280,4.200],
"number_observations_unique": 1905,
"quality_factors": [
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 14.100
}
]
},
{
"resolution_limits": [25.000,5.280],
"number_observations_unique": 2022,
"quality_factors": [
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.200
}
]
}
]
}