Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cb7ad914d72ff4a3b978ad21de232585",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 93.40,
"b": 62.54,
"c": 70.31,
"alpha": 90.00,
"beta": 117.81,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.19,1.950],
"number_observations_unique": 25803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 26.860
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 8.49
}
]
},
"refln_shells": [
{
"resolution_limits": [2.00,1.95],
"number_observations": 7508,
"number_observations_unique": 1785,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "I/SigI",
"value": 6.2
},
{
"type": "Completeness",
"value": 92.30
}
]
},
{
"resolution_limits": [2.06,2.00],
"number_observations": 9081,
"number_observations_unique": 1775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "I/SigI",
"value": 7.6
},
{
"type": "Completeness",
"value": 94.40
}
]
},
{
"resolution_limits": [2.12,2.06],
"number_observations": 10058,
"number_observations_unique": 1757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 10.8
},
{
"type": "Completeness",
"value": 96.30
}
]
},
{
"resolution_limits": [2.18,2.12],
"number_observations": 12614,
"number_observations_unique": 1759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 13.4
},
{
"type": "Completeness",
"value": 98.40
}
]
},
{
"resolution_limits": [2.25,2.18],
"number_observations": 12724,
"number_observations_unique": 1679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 15.7
},
{
"type": "Completeness",
"value": 98.00
}
]
},
{
"resolution_limits": [2.33,2.25],
"number_observations": 12285,
"number_observations_unique": 1644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 17.1
},
{
"type": "Completeness",
"value": 97.50
}
]
},
{
"resolution_limits": [2.42,2.33],
"number_observations": 14743,
"number_observations_unique": 1600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 20.0
},
{
"type": "Completeness",
"value": 99.00
}
]
},
{
"resolution_limits": [2.52,2.42],
"number_observations": 14406,
"number_observations_unique": 1550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 21.7
},
{
"type": "Completeness",
"value": 99.20
}
]
},
{
"resolution_limits": [2.63,2.52],
"number_observations": 14369,
"number_observations_unique": 1475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 24.2
},
{
"type": "Completeness",
"value": 99.40
}
]
},
{
"resolution_limits": [2.76,2.63],
"number_observations": 14296,
"number_observations_unique": 1420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 27.1
},
{
"type": "Completeness",
"value": 99.40
}
]
},
{
"resolution_limits": [2.91,2.76],
"number_observations": 13895,
"number_observations_unique": 1352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 29.6
},
{
"type": "Completeness",
"value": 99.60
}
]
},
{
"resolution_limits": [3.08,2.91],
"number_observations": 13540,
"number_observations_unique": 1291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 33.7
},
{
"type": "Completeness",
"value": 99.60
}
]
},
{
"resolution_limits": [3.30,3.08],
"number_observations": 11866,
"number_observations_unique": 1194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 37.8
},
{
"type": "Completeness",
"value": 99.50
}
]
},
{
"resolution_limits": [3.56,3.30],
"number_observations": 11484,
"number_observations_unique": 1129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 46.5
},
{
"type": "Completeness",
"value": 99.60
}
]
},
{
"resolution_limits": [3.90,3.56],
"number_observations": 10433,
"number_observations_unique": 1043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 52.5
},
{
"type": "Completeness",
"value": 99.10
}
]
},
{
"resolution_limits": [4.36,3.90],
"number_observations": 9758,
"number_observations_unique": 940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 58.9
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [5.03,4.36],
"number_observations": 8923,
"number_observations_unique": 836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 60.2
},
{
"type": "Completeness",
"value": 99.30
}
]
},
{
"resolution_limits": [6.17,5.03],
"number_observations": 7875,
"number_observations_unique": 710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 53.2
},
{
"type": "Completeness",
"value": 99.60
}
]
},
{
"resolution_limits": [8.72,6.17],
"number_observations": 6088,
"number_observations_unique": 550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 54.9
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [62.19,8.72],
"number_observations": 3217,
"number_observations_unique": 314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 70.6
},
{
"type": "Completeness",
"value": 96.90
}
]
}
]
}