Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "92b6598803b767be57cd2da6daae7b4a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 99.322,
"b": 107.230,
"c": 146.915,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91837,0.97947,0.97883],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.527,2.60],
"number_observations_unique": 48978,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.67,2.60],
"number_observations": 14957,
"number_observations_unique": 3564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.775
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [2.74,2.67],
"number_observations": 14549,
"number_observations_unique": 3464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.625
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [2.82,2.74],
"number_observations": 14245,
"number_observations_unique": 3404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.543
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [2.91,2.82],
"number_observations": 13870,
"number_observations_unique": 3308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.460
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [3.00,2.91],
"number_observations": 13429,
"number_observations_unique": 3206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.357
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [3.11,3.00],
"number_observations": 12929,
"number_observations_unique": 3087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [3.22,3.11],
"number_observations": 12525,
"number_observations_unique": 2997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [3.36,3.22],
"number_observations": 12039,
"number_observations_unique": 2877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [3.51,3.36],
"number_observations": 11541,
"number_observations_unique": 2762,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 5.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [3.68,3.51],
"number_observations": 11136,
"number_observations_unique": 2665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 6.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [3.88,3.68],
"number_observations": 10483,
"number_observations_unique": 2523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 7.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [4.11,3.88],
"number_observations": 9955,
"number_observations_unique": 2399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 8.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.10
}
]
},
{
"resolution_limits": [4.39,4.11],
"number_observations": 9263,
"number_observations_unique": 2248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 10.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.10
}
]
},
{
"resolution_limits": [4.75,4.39],
"number_observations": 8733,
"number_observations_unique": 2137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 11.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.10
}
]
},
{
"resolution_limits": [5.20,4.75],
"number_observations": 8027,
"number_observations_unique": 1959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 11.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.10
}
]
},
{
"resolution_limits": [5.81,5.20],
"number_observations": 7208,
"number_observations_unique": 1767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 10.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.10
}
]
},
{
"resolution_limits": [6.71,5.81],
"number_observations": 6420,
"number_observations_unique": 1588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 10.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.00
}
]
},
{
"resolution_limits": [8.22,6.71],
"number_observations": 5384,
"number_observations_unique": 1357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 12.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.00
}
]
},
{
"resolution_limits": [11.63,8.22],
"number_observations": 4089,
"number_observations_unique": 1068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 11.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [29.53,11.63],
"number_observations": 2093,
"number_observations_unique": 598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 9.5
},
{
"type": "Completeness",
"value": 94.20
},
{
"type": "Redundancy",
"value": 3.50
}
]
}
]
}