Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e9d93ba5bb02b934f798bbbade0133fa",
"space_group_name": "P 64 2 2",
"unit_cell": {
"a": 194.601,
"b": 194.601,
"c": 158.472,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.20],
"number_observations": 1737760,
"number_observations_unique": 89460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 4.3
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 10.2
}
]
},
"refln_shells": [
{
"resolution_limits": [2.24,2.20],
"number_observations_unique": 8235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.736
},
{
"type": "Completeness",
"value": 97.0
},
{
"type": "Redundancy",
"value": 8.5
}
]
},
{
"resolution_limits": [2.28,2.24],
"number_observations_unique": 8433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.714
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 9.0
}
]
},
{
"resolution_limits": [2.32,2.28],
"number_observations_unique": 8543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.605
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 9.5
}
]
},
{
"resolution_limits": [2.37,2.32],
"number_observations_unique": 8515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.561
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.1
}
]
},
{
"resolution_limits": [2.42,2.37],
"number_observations_unique": 8499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.502
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.4
}
]
},
{
"resolution_limits": [2.48,2.42],
"number_observations_unique": 8554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.467
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.5
}
]
},
{
"resolution_limits": [2.54,2.48],
"number_observations_unique": 8509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.408
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.5
}
]
},
{
"resolution_limits": [2.61,2.54],
"number_observations_unique": 8529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.2
}
]
},
{
"resolution_limits": [2.69,2.61],
"number_observations_unique": 8518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.6
}
]
},
{
"resolution_limits": [2.77,2.69],
"number_observations_unique": 8531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.1
}
]
},
{
"resolution_limits": [2.87,2.77],
"number_observations_unique": 8515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.2
}
]
},
{
"resolution_limits": [2.99,2.87],
"number_observations_unique": 8561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.0
}
]
},
{
"resolution_limits": [3.12,2.99],
"number_observations_unique": 8496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.9
}
]
},
{
"resolution_limits": [3.29,3.12],
"number_observations_unique": 8548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.8
}
]
},
{
"resolution_limits": [3.49,3.29],
"number_observations_unique": 8515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.7
}
]
},
{
"resolution_limits": [3.76,3.49],
"number_observations_unique": 8546,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.2
}
]
},
{
"resolution_limits": [4.14,3.76],
"number_observations_unique": 8537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.7
}
]
},
{
"resolution_limits": [4.74,4.14],
"number_observations_unique": 8524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.9
}
]
},
{
"resolution_limits": [5.97,4.74],
"number_observations_unique": 8518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.9
}
]
},
{
"resolution_limits": [50.00,5.97],
"number_observations_unique": 8576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.4
}
]
}
]
}