Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6af552704580c7c7d6c0ececb5dc0032",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.887,
"b": 81.041,
"c": 57.505,
"alpha": 90.00,
"beta": 114.66,
"gamma": 90.00
},
"wavelengths": [0.98340],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.600],
"number_observations_unique": 55551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 21.820
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 3.43
}
]
},
"refln_shells": [
{
"resolution_limits": [1.70,1.60],
"number_observations": 13292,
"number_observations_unique": 6972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.408
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 71.30
}
]
},
{
"resolution_limits": [1.80,1.70],
"number_observations": 27736,
"number_observations_unique": 7723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "I/SigI",
"value": 4.9
},
{
"type": "Completeness",
"value": 98.80
}
]
},
{
"resolution_limits": [1.90,1.80],
"number_observations": 22887,
"number_observations_unique": 6128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 8.6
},
{
"type": "Completeness",
"value": 99.40
}
]
},
{
"resolution_limits": [2.00,1.90],
"number_observations": 18603,
"number_observations_unique": 5013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 13.8
},
{
"type": "Completeness",
"value": 99.10
}
]
},
{
"resolution_limits": [2.10,2.00],
"number_observations": 15136,
"number_observations_unique": 4084,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 18.6
},
{
"type": "Completeness",
"value": 99.10
}
]
},
{
"resolution_limits": [2.50,2.10],
"number_observations": 38714,
"number_observations_unique": 10512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 26.2
},
{
"type": "Completeness",
"value": 98.40
}
]
},
{
"resolution_limits": [3.00,2.50],
"number_observations": 23472,
"number_observations_unique": 6461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 38.0
},
{
"type": "Completeness",
"value": 98.10
}
]
},
{
"resolution_limits": [4.00,3.00],
"number_observations": 18109,
"number_observations_unique": 5096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 47.9
},
{
"type": "Completeness",
"value": 97.70
}
]
},
{
"resolution_limits": [6.00,4.00],
"number_observations": 8818,
"number_observations_unique": 2551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 56.5
},
{
"type": "Completeness",
"value": 93.80
}
]
},
{
"resolution_limits": [10.00,6.00],
"number_observations": 2670,
"number_observations_unique": 759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 61.5
},
{
"type": "Completeness",
"value": 83.70
}
]
},
{
"resolution_limits": [15.00,10.00],
"number_observations": 842,
"number_observations_unique": 179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 28.8
},
{
"type": "Completeness",
"value": 96.80
}
]
},
{
"resolution_limits": [20.00,15.00],
"number_observations": 196,
"number_observations_unique": 48,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 22.0
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [50.0,20.00],
"number_observations": 84,
"number_observations_unique": 25,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 23.1
},
{
"type": "Completeness",
"value": 75.80
}
]
}
]
}