Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d3a2126994de1262dd20e72c798b86d8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.80,
"b": 148.71,
"c": 117.33,
"alpha": 90.00,
"beta": 119.16,
"gamma": 90.00
},
"wavelengths": [0.97916],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.482,2.473],
"number_observations_unique": 59434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.473],
"number_observations": 8631,
"number_observations_unique": 3806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.474
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 84.600
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [2.610,2.540],
"number_observations": 9881,
"number_observations_unique": 3980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.401
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 2.500
}
]
},
{
"resolution_limits": [2.680,2.610],
"number_observations": 12144,
"number_observations_unique": 4202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.378
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [2.760,2.680],
"number_observations": 13017,
"number_observations_unique": 4118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [2.860,2.760],
"number_observations": 12881,
"number_observations_unique": 4051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [2.960,2.860],
"number_observations": 12316,
"number_observations_unique": 3878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [3.070,2.960],
"number_observations": 11694,
"number_observations_unique": 3674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [3.190,3.070],
"number_observations": 11537,
"number_observations_unique": 3643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [3.330,3.190],
"number_observations": 10930,
"number_observations_unique": 3459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [3.500,3.330],
"number_observations": 10436,
"number_observations_unique": 3291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [3.690,3.500],
"number_observations": 9841,
"number_observations_unique": 3112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [3.910,3.690],
"number_observations": 9567,
"number_observations_unique": 3004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [4.180,3.910],
"number_observations": 8763,
"number_observations_unique": 2763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 15.900
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [4.510,4.180],
"number_observations": 8206,
"number_observations_unique": 2601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [4.950,4.510],
"number_observations": 7372,
"number_observations_unique": 2364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [5.530,4.950],
"number_observations": 6580,
"number_observations_unique": 2141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [6.380,5.530],
"number_observations": 5800,
"number_observations_unique": 1877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [7.820,6.380],
"number_observations": 4966,
"number_observations_unique": 1601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [11.060,7.820],
"number_observations": 3803,
"number_observations_unique": 1211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 22.400
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [36.482,11.060],
"number_observations": 1961,
"number_observations_unique": 658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 24.400
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 3.000
}
]
}
]
}