Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "235cfaeb488d0684523839957f4921c6",
"space_group_name": "P 42 2 2",
"unit_cell": {
"a": 91.157,
"b": 91.157,
"c": 48.753,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91837,0.97941,0.97854],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.831,2.60],
"number_observations_unique": 6713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 15.1
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.67,2.60],
"number_observations": 2290,
"number_observations_unique": 476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.596
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.80
}
]
},
{
"resolution_limits": [2.74,2.67],
"number_observations": 2283,
"number_observations_unique": 470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.436
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.90
}
]
},
{
"resolution_limits": [2.82,2.74],
"number_observations": 2158,
"number_observations_unique": 451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.375
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.80
}
]
},
{
"resolution_limits": [2.91,2.82],
"number_observations": 2176,
"number_observations_unique": 452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "I/SigI",
"value": 4.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.80
}
]
},
{
"resolution_limits": [3.00,2.91],
"number_observations": 2050,
"number_observations_unique": 430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "I/SigI",
"value": 6.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.80
}
]
},
{
"resolution_limits": [3.11,3.00],
"number_observations": 2026,
"number_observations_unique": 419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "I/SigI",
"value": 7.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.80
}
]
},
{
"resolution_limits": [3.22,3.11],
"number_observations": 1964,
"number_observations_unique": 414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 10.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.70
}
]
},
{
"resolution_limits": [3.36,3.22],
"number_observations": 1844,
"number_observations_unique": 384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 13.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.80
}
]
},
{
"resolution_limits": [3.51,3.36],
"number_observations": 1799,
"number_observations_unique": 383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 15.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.70
}
]
},
{
"resolution_limits": [3.68,3.51],
"number_observations": 1733,
"number_observations_unique": 364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 19.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.80
}
]
},
{
"resolution_limits": [3.88,3.68],
"number_observations": 1575,
"number_observations_unique": 337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 21.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.70
}
]
},
{
"resolution_limits": [4.11,3.88],
"number_observations": 1571,
"number_observations_unique": 339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 25.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.60
}
]
},
{
"resolution_limits": [4.39,4.11],
"number_observations": 1438,
"number_observations_unique": 310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 29.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.60
}
]
},
{
"resolution_limits": [4.75,4.39],
"number_observations": 1356,
"number_observations_unique": 294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 29.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.60
}
]
},
{
"resolution_limits": [5.20,4.75],
"number_observations": 1226,
"number_observations_unique": 270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 30.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.50
}
]
},
{
"resolution_limits": [5.81,5.20],
"number_observations": 1122,
"number_observations_unique": 252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 28.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.50
}
]
},
{
"resolution_limits": [6.71,5.81],
"number_observations": 989,
"number_observations_unique": 223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 26.3
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 4.40
}
]
},
{
"resolution_limits": [8.22,6.71],
"number_observations": 831,
"number_observations_unique": 197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 26.5
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [11.63,8.22],
"number_observations": 643,
"number_observations_unique": 157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 27.1
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 4.10
}
]
},
{
"resolution_limits": [28.83,11.63],
"number_observations": 318,
"number_observations_unique": 91,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 28.1
},
{
"type": "Completeness",
"value": 92.80
},
{
"type": "Redundancy",
"value": 3.50
}
]
}
]
}