Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bea65a4c7bb522151ba88b74e97ad45d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 57.058,
"b": 69.508,
"c": 75.093,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91837,0.97916,0.97852],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.683,1.45],
"number_observations_unique": 52450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.49,1.45],
"number_observations": 10646,
"number_observations_unique": 3206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.558
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 83.00
},
{
"type": "Redundancy",
"value": 3.30
}
]
},
{
"resolution_limits": [1.53,1.49],
"number_observations": 13504,
"number_observations_unique": 3705,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.483
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 97.50
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [1.57,1.53],
"number_observations": 13615,
"number_observations_unique": 3667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.396
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 98.60
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [1.62,1.57],
"number_observations": 13236,
"number_observations_unique": 3553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 98.70
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [1.67,1.62],
"number_observations": 12844,
"number_observations_unique": 3465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 99.10
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [1.73,1.67],
"number_observations": 12499,
"number_observations_unique": 3354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [1.80,1.73],
"number_observations": 11993,
"number_observations_unique": 3231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [1.87,1.80],
"number_observations": 11600,
"number_observations_unique": 3122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 5.0
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [1.96,1.87],
"number_observations": 11277,
"number_observations_unique": 3031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 6.5
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.05,1.96],
"number_observations": 10700,
"number_observations_unique": 2885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 7.5
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.16,2.05],
"number_observations": 10165,
"number_observations_unique": 2738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 9.0
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.29,2.16],
"number_observations": 9750,
"number_observations_unique": 2630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 10.1
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.45,2.29],
"number_observations": 9046,
"number_observations_unique": 2445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 11.5
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.65,2.45],
"number_observations": 8568,
"number_observations_unique": 2322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 11.8
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.90,2.65],
"number_observations": 7843,
"number_observations_unique": 2136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 12.8
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.24,2.90],
"number_observations": 7134,
"number_observations_unique": 1939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 14.3
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.74,3.24],
"number_observations": 6302,
"number_observations_unique": 1721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 15.2
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [4.59,3.74],
"number_observations": 5259,
"number_observations_unique": 1465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 16.7
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [6.48,4.59],
"number_observations": 4137,
"number_observations_unique": 1176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 15.8
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [29.68,6.48],
"number_observations": 2215,
"number_observations_unique": 659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 12.9
},
{
"type": "Completeness",
"value": 96.70
},
{
"type": "Redundancy",
"value": 3.40
}
]
}
]
}