Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "11ffbd0fb3e651f9f43a186ed389a5e8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 124.033,
"b": 119.953,
"c": 103.015,
"alpha": 90.00,
"beta": 106.72,
"gamma": 90.00
},
"wavelengths": [0.91162,0.97932,0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.698,1.90],
"number_observations_unique": 113332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"number_observations": 31646,
"number_observations_unique": 8363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.561
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.000,1.950],
"number_observations": 31168,
"number_observations_unique": 8198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.435
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.060,2.000],
"number_observations": 30109,
"number_observations_unique": 7909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.352
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.120,2.060],
"number_observations": 29076,
"number_observations_unique": 7648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.300
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.190,2.120],
"number_observations": 28570,
"number_observations_unique": 7479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "I/SigI",
"value": 4.8
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.270,2.190],
"number_observations": 27695,
"number_observations_unique": 7272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.360,2.270],
"number_observations": 26503,
"number_observations_unique": 6920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.450,2.360],
"number_observations": 25754,
"number_observations_unique": 6726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 7.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.560,2.450],
"number_observations": 24630,
"number_observations_unique": 6414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 8.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.690,2.560],
"number_observations": 23757,
"number_observations_unique": 6192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 9.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.830,2.690],
"number_observations": 22450,
"number_observations_unique": 5838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 10.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.000,2.830],
"number_observations": 21369,
"number_observations_unique": 5558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 13.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.210,3.000],
"number_observations": 20033,
"number_observations_unique": 5211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 15.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.470,3.210],
"number_observations": 18672,
"number_observations_unique": 4854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 18.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.800,3.470],
"number_observations": 17164,
"number_observations_unique": 4462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 20.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [4.250,3.800],
"number_observations": 15661,
"number_observations_unique": 4069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 22.4
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [4.910,4.250],
"number_observations": 13717,
"number_observations_unique": 3570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 24.1
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [6.010,4.910],
"number_observations": 11636,
"number_observations_unique": 3032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 23.5
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [8.500,6.010],
"number_observations": 9043,
"number_observations_unique": 2367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 22.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [29.698,8.500],
"number_observations": 4568,
"number_observations_unique": 1250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 24.9
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.700
}
]
}
]
}