Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8448da2535eeac9c3d5f9b42ec2dacef",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 97.420,
"b": 105.507,
"c": 181.250,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.881,2.46],
"number_observations_unique": 68362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 4.443
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.52,2.46],
"number_observations": 37475,
"number_observations_unique": 4955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.696
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 7.60
}
]
},
{
"resolution_limits": [2.59,2.52],
"number_observations": 36830,
"number_observations_unique": 4870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.551
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 7.60
}
]
},
{
"resolution_limits": [2.67,2.59],
"number_observations": 35803,
"number_observations_unique": 4742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.482
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 7.60
}
]
},
{
"resolution_limits": [2.75,2.67],
"number_observations": 34809,
"number_observations_unique": 4619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.372
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [2.84,2.75],
"number_observations": 33735,
"number_observations_unique": 4465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 7.60
}
]
},
{
"resolution_limits": [2.94,2.84],
"number_observations": 32710,
"number_observations_unique": 4333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [3.05,2.94],
"number_observations": 31592,
"number_observations_unique": 4188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [3.18,3.05],
"number_observations": 30439,
"number_observations_unique": 4039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 4.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [3.32,3.18],
"number_observations": 29123,
"number_observations_unique": 3868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 6.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [3.48,3.32],
"number_observations": 27873,
"number_observations_unique": 3723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [3.67,3.48],
"number_observations": 26529,
"number_observations_unique": 3538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [3.89,3.67],
"number_observations": 25103,
"number_observations_unique": 3363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [4.16,3.89],
"number_observations": 23373,
"number_observations_unique": 3147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 7.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [4.49,4.16],
"number_observations": 21882,
"number_observations_unique": 2956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 8.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [4.92,4.49],
"number_observations": 20286,
"number_observations_unique": 2747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 9.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [5.50,4.92],
"number_observations": 18059,
"number_observations_unique": 2463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.30
}
]
},
{
"resolution_limits": [6.35,5.50],
"number_observations": 15824,
"number_observations_unique": 2190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 8.8
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 7.20
}
]
},
{
"resolution_limits": [7.78,6.35],
"number_observations": 13310,
"number_observations_unique": 1877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 9.1
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 7.10
}
]
},
{
"resolution_limits": [11.00,7.78],
"number_observations": 10277,
"number_observations_unique": 1481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 6.90
}
]
},
{
"resolution_limits": [29.881,11.00],
"number_observations": 4964,
"number_observations_unique": 798,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 9.4
},
{
"type": "Completeness",
"value": 93.00
},
{
"type": "Redundancy",
"value": 6.20
}
]
}
]
}