Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1eac268b5fb3e79458357c78729e17fe",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 62.26,
"b": 96.25,
"c": 81.32,
"alpha": 90.00,
"beta": 111.62,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.300],
"number_observations_unique": 38947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 12.820
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
"refln_shells": [
{
"resolution_limits": [2.360,2.300],
"number_observations": 10489,
"number_observations_unique": 2800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.532
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [2.420,2.360],
"number_observations": 10497,
"number_observations_unique": 2793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.353
},
{
"type": "I/SigI",
"value": 4.350
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [2.490,2.420],
"number_observations": 10337,
"number_observations_unique": 2745,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "I/SigI",
"value": 4.970
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [2.570,2.490],
"number_observations": 9846,
"number_observations_unique": 2608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "I/SigI",
"value": 5.840
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [2.660,2.570],
"number_observations": 9636,
"number_observations_unique": 2558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "I/SigI",
"value": 6.350
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [2.750,2.660],
"number_observations": 9345,
"number_observations_unique": 2478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "I/SigI",
"value": 7.620
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [2.850,2.750],
"number_observations": 9111,
"number_observations_unique": 2413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 8.610
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [2.970,2.850],
"number_observations": 8750,
"number_observations_unique": 2315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 9.960
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [3.100,2.970],
"number_observations": 8440,
"number_observations_unique": 2222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 11.730
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [3.250,3.100],
"number_observations": 8016,
"number_observations_unique": 2113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 13.920
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [3.430,3.250],
"number_observations": 7724,
"number_observations_unique": 2039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 15.460
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [3.640,3.430],
"number_observations": 6888,
"number_observations_unique": 1883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 17.460
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [3.890,3.640],
"number_observations": 6232,
"number_observations_unique": 1772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 22.070
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [4.200,3.890],
"number_observations": 6279,
"number_observations_unique": 1660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 22.860
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [4.600,4.200],
"number_observations": 5834,
"number_observations_unique": 1545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 26.280
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [5.140,4.600],
"number_observations": 5368,
"number_observations_unique": 1415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 25.360
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [5.940,5.140],
"number_observations": 4746,
"number_observations_unique": 1247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 23.550
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [7.270,5.940],
"number_observations": 4008,
"number_observations_unique": 1057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 24.050
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [10.290,7.270],
"number_observations": 3115,
"number_observations_unique": 836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 30.940
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [50,10.290],
"number_observations": 1602,
"number_observations_unique": 448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 36.620
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.6
}
]
}
]
}