Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3b17d0b0ffa69c6dafb1269b7df1e7f8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 130.525,
"b": 55.914,
"c": 103.031,
"alpha": 90.00,
"beta": 114.22,
"gamma": 90.00
},
"wavelengths": [0.97967,0.94645],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.989,1.80],
"number_observations_unique": 55259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 4.412
},
{
"type": "Completeness",
"value": 88.400
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.85,1.80],
"number_observations": 3145,
"number_observations_unique": 1940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 43.30
},
{
"type": "Redundancy",
"value": 1.60
}
]
},
{
"resolution_limits": [1.90,1.85],
"number_observations": 3724,
"number_observations_unique": 2187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Completeness",
"value": 49.50
},
{
"type": "Redundancy",
"value": 1.70
}
]
},
{
"resolution_limits": [1.95,1.90],
"number_observations": 4580,
"number_observations_unique": 2496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 58.40
},
{
"type": "Redundancy",
"value": 1.80
}
]
},
{
"resolution_limits": [2.01,1.95],
"number_observations": 8261,
"number_observations_unique": 3770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 88.90
},
{
"type": "Redundancy",
"value": 2.20
}
]
},
{
"resolution_limits": [2.08,2.01],
"number_observations": 13327,
"number_observations_unique": 4096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 3.30
}
]
},
{
"resolution_limits": [2.15,2.08],
"number_observations": 13419,
"number_observations_unique": 3973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [2.23,2.15],
"number_observations": 13111,
"number_observations_unique": 3849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [2.32,2.23],
"number_observations": 12742,
"number_observations_unique": 3688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [2.43,2.32],
"number_observations": 12165,
"number_observations_unique": 3547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 4.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [2.55,2.43],
"number_observations": 11513,
"number_observations_unique": 3394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [2.68,2.55],
"number_observations": 10913,
"number_observations_unique": 3215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 5.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [2.85,2.68],
"number_observations": 10564,
"number_observations_unique": 3086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [3.04,2.85],
"number_observations": 10187,
"number_observations_unique": 2863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 6.8
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [3.29,3.04],
"number_observations": 9811,
"number_observations_unique": 2673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 7.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.60,3.29],
"number_observations": 9240,
"number_observations_unique": 2481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 6.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [4.02,3.60],
"number_observations": 8440,
"number_observations_unique": 2262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 6.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [4.65,4.02],
"number_observations": 7440,
"number_observations_unique": 1989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 8.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [5.69,4.65],
"number_observations": 6248,
"number_observations_unique": 1685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 9.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [8.05,5.69],
"number_observations": 4881,
"number_observations_unique": 1332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 8.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [28.989,8.05],
"number_observations": 2569,
"number_observations_unique": 733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 97.90
},
{
"type": "Redundancy",
"value": 3.50
}
]
}
]
}