Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "51dbf7988f0e5546da882d30a7a24d71",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 60.032,
"b": 39.745,
"c": 70.977,
"alpha": 90.00,
"beta": 101.85,
"gamma": 90.00
},
"wavelengths": [0.91837,0.97956,0.97944],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.374,1.79],
"number_observations_unique": 30961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 6.144
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.84,1.79],
"number_observations": 4786,
"number_observations_unique": 2066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.559
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 90.80
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [1.89,1.84],
"number_observations": 6128,
"number_observations_unique": 2230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.547
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 98.00
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [1.94,1.89],
"number_observations": 6675,
"number_observations_unique": 2141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.473
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [2.00,1.94],
"number_observations": 6615,
"number_observations_unique": 2120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.366
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [2.07,2.00],
"number_observations": 6358,
"number_observations_unique": 2034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [2.14,2.07],
"number_observations": 6230,
"number_observations_unique": 2008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [2.22,2.14],
"number_observations": 5947,
"number_observations_unique": 1896,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [2.31,2.22],
"number_observations": 5829,
"number_observations_unique": 1864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [2.41,2.31],
"number_observations": 5475,
"number_observations_unique": 1749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 5.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [2.53,2.41],
"number_observations": 5285,
"number_observations_unique": 1694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 5.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [2.67,2.53],
"number_observations": 5099,
"number_observations_unique": 1626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [2.83,2.67],
"number_observations": 4787,
"number_observations_unique": 1528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 7.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [3.03,2.83],
"number_observations": 4519,
"number_observations_unique": 1444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 7.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [3.27,3.03],
"number_observations": 4173,
"number_observations_unique": 1342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 8.6
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [3.58,3.27],
"number_observations": 3815,
"number_observations_unique": 1237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 9.4
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [4.00,3.58],
"number_observations": 3531,
"number_observations_unique": 1135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 11.1
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [4.62,4.00],
"number_observations": 3050,
"number_observations_unique": 982,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 13.0
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [5.66,4.62],
"number_observations": 2603,
"number_observations_unique": 838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 12.9
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [8.01,5.66],
"number_observations": 1997,
"number_observations_unique": 659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 10.8
},
{
"type": "Completeness",
"value": 98.90
},
{
"type": "Redundancy",
"value": 3.00
}
]
},
{
"resolution_limits": [29.374,8.01],
"number_observations": 1070,
"number_observations_unique": 368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 15.2
},
{
"type": "Completeness",
"value": 96.00
},
{
"type": "Redundancy",
"value": 2.90
}
]
}
]
}