Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7b7ed370ef582e27f108c106aea35b51",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 82.452,
"b": 118.245,
"c": 129.193,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91837,0.97925,0.97911],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.961,2.05],
"number_observations_unique": 79699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.10,2.05],
"number_observations": 21973,
"number_observations_unique": 5863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.804
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.16,2.10],
"number_observations": 21319,
"number_observations_unique": 5691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.715
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.22,2.16],
"number_observations": 20825,
"number_observations_unique": 5547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.606
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [2.29,2.22],
"number_observations": 20164,
"number_observations_unique": 5372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.530
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [2.37,2.29],
"number_observations": 19699,
"number_observations_unique": 5239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.463
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [2.45,2.37],
"number_observations": 18992,
"number_observations_unique": 5054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.416
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [2.54,2.45],
"number_observations": 18225,
"number_observations_unique": 4849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "I/SigI",
"value": 3.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [2.65,2.54],
"number_observations": 17752,
"number_observations_unique": 4726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.298
},
{
"type": "I/SigI",
"value": 4.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [2.76,2.65],
"number_observations": 17022,
"number_observations_unique": 4533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 5.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [2.90,2.76],
"number_observations": 16201,
"number_observations_unique": 4312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 6.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [3.06,2.90],
"number_observations": 15491,
"number_observations_unique": 4119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 9.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [3.24,3.06],
"number_observations": 14588,
"number_observations_unique": 3888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 11.2
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [3.47,3.24],
"number_observations": 13834,
"number_observations_unique": 3686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 14.0
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [3.74,3.47],
"number_observations": 12884,
"number_observations_unique": 3438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 16.5
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [4.10,3.74],
"number_observations": 11851,
"number_observations_unique": 3163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 19.7
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [4.58,4.10],
"number_observations": 10674,
"number_observations_unique": 2869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 22.1
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [5.29,4.58],
"number_observations": 9486,
"number_observations_unique": 2541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 22.0
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [6.48,5.29],
"number_observations": 7979,
"number_observations_unique": 2163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 19.8
},
{
"type": "Completeness",
"value": 99.10
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [9.17,6.48],
"number_observations": 6207,
"number_observations_unique": 1704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 21.3
},
{
"type": "Completeness",
"value": 98.90
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [29.96,9.17],
"number_observations": 3273,
"number_observations_unique": 942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 25.4
},
{
"type": "Completeness",
"value": 95.30
},
{
"type": "Redundancy",
"value": 3.50
}
]
}
]
}