Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "70383b08e1e2d5d52a8f0bb967fc9e1c",
"space_group_name": "P 31",
"unit_cell": {
"a": 105.210,
"b": 105.210,
"c": 174.668,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.1910],
"number_observations_unique": 34915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
"refln_shells": [
{
"resolution_limits": [3.260,3.200],
"number_observations_unique": 1634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.384
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [3.310,3.260],
"number_observations_unique": 1685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.398
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [3.380,3.310],
"number_observations_unique": 1704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [3.450,3.380],
"number_observations_unique": 1679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.347
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [3.520,3.450],
"number_observations_unique": 1747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.343
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [3.600,3.520],
"number_observations_unique": 1679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.306
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [3.690,3.600],
"number_observations_unique": 1749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.287
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [3.790,3.690],
"number_observations_unique": 1739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [3.910,3.790],
"number_observations_unique": 1763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [4.030,3.910],
"number_observations_unique": 1731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [4.180,4.030],
"number_observations_unique": 1758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [4.340,4.180],
"number_observations_unique": 1791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [4.540,4.340],
"number_observations_unique": 1750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [4.780,4.540],
"number_observations_unique": 1784,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [5.080,4.780],
"number_observations_unique": 1801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [5.470,5.080],
"number_observations_unique": 1775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [6.020,5.470],
"number_observations_unique": 1767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [6.890,6.020],
"number_observations_unique": 1787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [8.670,6.890],
"number_observations_unique": 1799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [50.000,8.670],
"number_observations_unique": 1793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.600
}
]
}
]
}