Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fa3cb2260bf0dd60b39e203772b33743",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 73.99,
"b": 129.53,
"c": 78.61,
"alpha": 90.00,
"beta": 108.57,
"gamma": 90.00
},
"wavelengths": [0.97740],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.883,1.600],
"number_observations_unique": 181397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 23.920
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.5256
}
]
},
"refln_shells": [
{
"resolution_limits": [1.64,1.60],
"number_observations": 44391,
"number_observations_unique": 13629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 88.70
},
{
"type": "Redundancy",
"value": 3.671
}
]
},
{
"resolution_limits": [1.69,1.64],
"number_observations": 55011,
"number_observations_unique": 12965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "I/SigI",
"value": 4.9
},
{
"type": "Completeness",
"value": 98.20
}
]
},
{
"resolution_limits": [1.74,1.69],
"number_observations": 58789,
"number_observations_unique": 12707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 98.50
}
]
},
{
"resolution_limits": [1.79,1.74],
"number_observations": 57252,
"number_observations_unique": 12375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 7.4
},
{
"type": "Completeness",
"value": 98.60
}
]
},
{
"resolution_limits": [1.85,1.79],
"number_observations": 55622,
"number_observations_unique": 12001,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 9.2
},
{
"type": "Completeness",
"value": 98.70
}
]
},
{
"resolution_limits": [1.91,1.85],
"number_observations": 53865,
"number_observations_unique": 11640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 11.4
},
{
"type": "Completeness",
"value": 98.90
}
]
},
{
"resolution_limits": [1.98,1.91],
"number_observations": 51776,
"number_observations_unique": 11182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 14.1
},
{
"type": "Completeness",
"value": 99.10
}
]
},
{
"resolution_limits": [2.07,1.98],
"number_observations": 50359,
"number_observations_unique": 10873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 17.5
},
{
"type": "Completeness",
"value": 99.10
}
]
},
{
"resolution_limits": [2.16,2.07],
"number_observations": 47970,
"number_observations_unique": 10355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 20.7
},
{
"type": "Completeness",
"value": 99.20
}
]
},
{
"resolution_limits": [2.26,2.16],
"number_observations": 46112,
"number_observations_unique": 9973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 25.2
},
{
"type": "Completeness",
"value": 99.40
}
]
},
{
"resolution_limits": [2.39,2.26],
"number_observations": 43904,
"number_observations_unique": 9472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 29.5
},
{
"type": "Completeness",
"value": 99.40
}
]
},
{
"resolution_limits": [2.53,2.39],
"number_observations": 41609,
"number_observations_unique": 8986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 32.8
},
{
"type": "Completeness",
"value": 99.50
}
]
},
{
"resolution_limits": [2.70,2.53],
"number_observations": 38959,
"number_observations_unique": 8430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 35.4
},
{
"type": "Completeness",
"value": 99.60
}
]
},
{
"resolution_limits": [2.92,2.70],
"number_observations": 36129,
"number_observations_unique": 7859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 39.8
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [3.20,2.92],
"number_observations": 33319,
"number_observations_unique": 7270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 46.1
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [3.58,3.20],
"number_observations": 29946,
"number_observations_unique": 6584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 55.3
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [4.13,3.58],
"number_observations": 26061,
"number_observations_unique": 5802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 63.9
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [5.06,4.13],
"number_observations": 22271,
"number_observations_unique": 4900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 68.9
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [7.16,5.06],
"number_observations": 17907,
"number_observations_unique": 3826,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 63.8
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [48.883,7.16],
"number_observations": 9682,
"number_observations_unique": 2105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 77.7
},
{
"type": "Completeness",
"value": 98.80
}
]
}
]
}