Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "64dd9c8d473573027078e33386c9d3a6",
"space_group_name": "P 1",
"unit_cell": {
"a": 39.32,
"b": 39.48,
"c": 52.25,
"alpha": 104.17,
"beta": 105.16,
"gamma": 100.50
},
"wavelengths": [0.88600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25,1.200],
"number_observations_unique": 75066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 19.910
},
{
"type": "Completeness",
"value": 84.400
},
{
"type": "Redundancy",
"value": 8.54
}
]
},
"refln_shells": [
{
"resolution_limits": [1.23,1.20],
"number_observations": 8104,
"number_observations_unique": 2465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.418
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 37.40
}
]
},
{
"resolution_limits": [1.26,1.23],
"number_observations": 10775,
"number_observations_unique": 3079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.375
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 48.30
}
]
},
{
"resolution_limits": [1.30,1.26],
"number_observations": 13469,
"number_observations_unique": 3846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "I/SigI",
"value": 4.7
},
{
"type": "Completeness",
"value": 61.50
}
]
},
{
"resolution_limits": [1.34,1.30],
"number_observations": 17088,
"number_observations_unique": 4953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "I/SigI",
"value": 5.3
},
{
"type": "Completeness",
"value": 82.10
}
]
},
{
"resolution_limits": [1.39,1.34],
"number_observations": 20659,
"number_observations_unique": 5485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 93.40
}
]
},
{
"resolution_limits": [1.43,1.39],
"number_observations": 20984,
"number_observations_unique": 5323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 8.1
},
{
"type": "Completeness",
"value": 93.60
}
]
},
{
"resolution_limits": [1.49,1.43],
"number_observations": 20390,
"number_observations_unique": 5171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 9.9
},
{
"type": "Completeness",
"value": 94.30
}
]
},
{
"resolution_limits": [1.55,1.49],
"number_observations": 19669,
"number_observations_unique": 4986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 12.7
},
{
"type": "Completeness",
"value": 94.40
}
]
},
{
"resolution_limits": [1.62,1.55],
"number_observations": 19004,
"number_observations_unique": 4819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 15.7
},
{
"type": "Completeness",
"value": 95.10
}
]
},
{
"resolution_limits": [1.70,1.62],
"number_observations": 18086,
"number_observations_unique": 4596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 18.2
},
{
"type": "Completeness",
"value": 95.00
}
]
},
{
"resolution_limits": [1.79,1.70],
"number_observations": 25538,
"number_observations_unique": 4426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 22.6
},
{
"type": "Completeness",
"value": 95.40
}
]
},
{
"resolution_limits": [1.90,1.79],
"number_observations": 24335,
"number_observations_unique": 4152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 27.0
},
{
"type": "Completeness",
"value": 96.00
}
]
},
{
"resolution_limits": [2.03,1.90],
"number_observations": 22882,
"number_observations_unique": 3913,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 32.1
},
{
"type": "Completeness",
"value": 96.20
}
]
},
{
"resolution_limits": [2.19,2.03],
"number_observations": 21583,
"number_observations_unique": 3707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 37.7
},
{
"type": "Completeness",
"value": 96.40
}
]
},
{
"resolution_limits": [2.40,2.19],
"number_observations": 19452,
"number_observations_unique": 3364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 40.7
},
{
"type": "Completeness",
"value": 97.10
}
]
},
{
"resolution_limits": [2.68,2.40],
"number_observations": 17596,
"number_observations_unique": 3062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 42.8
},
{
"type": "Completeness",
"value": 96.90
}
]
},
{
"resolution_limits": [3.10,2.68],
"number_observations": 15360,
"number_observations_unique": 2718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 45.1
},
{
"type": "Completeness",
"value": 97.60
}
]
},
{
"resolution_limits": [3.79,3.10],
"number_observations": 12168,
"number_observations_unique": 2311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 45.3
},
{
"type": "Completeness",
"value": 97.60
}
]
},
{
"resolution_limits": [5.36,3.79],
"number_observations": 7979,
"number_observations_unique": 1746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 41.0
},
{
"type": "Completeness",
"value": 96.60
}
]
},
{
"resolution_limits": [25,5.36],
"number_observations": 3921,
"number_observations_unique": 944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 37.9
},
{
"type": "Completeness",
"value": 93.10
}
]
}
]
}