Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5887a26d282310cd517278d245ba9f46",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 53.184,
"b": 53.184,
"c": 251.364,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91162,0.97925],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.761,1.90],
"number_observations_unique": 29798,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.95,1.90],
"number_observations": 14662,
"number_observations_unique": 2129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.920
},
{
"type": "I/SigI",
"value": 0.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.90
}
]
},
{
"resolution_limits": [2.00,1.95],
"number_observations": 14159,
"number_observations_unique": 2072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.722
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.80
}
]
},
{
"resolution_limits": [2.06,2.00],
"number_observations": 13920,
"number_observations_unique": 2053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.539
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.80
}
]
},
{
"resolution_limits": [2.12,2.06],
"number_observations": 13505,
"number_observations_unique": 1995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.410
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.80
}
]
},
{
"resolution_limits": [2.19,2.12],
"number_observations": 13080,
"number_observations_unique": 1905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.90
}
]
},
{
"resolution_limits": [2.27,2.19],
"number_observations": 12726,
"number_observations_unique": 1873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.80
}
]
},
{
"resolution_limits": [2.36,2.27],
"number_observations": 12145,
"number_observations_unique": 1799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.80
}
]
},
{
"resolution_limits": [2.45,2.36],
"number_observations": 11855,
"number_observations_unique": 1741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.80
}
]
},
{
"resolution_limits": [2.56,2.45],
"number_observations": 11368,
"number_observations_unique": 1688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 4.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.70
}
]
},
{
"resolution_limits": [2.69,2.56],
"number_observations": 10785,
"number_observations_unique": 1612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 5.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.70
}
]
},
{
"resolution_limits": [2.83,2.69],
"number_observations": 10326,
"number_observations_unique": 1533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 6.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.70
}
]
},
{
"resolution_limits": [3.00,2.83],
"number_observations": 9760,
"number_observations_unique": 1462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 7.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.70
}
]
},
{
"resolution_limits": [3.21,3.00],
"number_observations": 9131,
"number_observations_unique": 1374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 7.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.60
}
]
},
{
"resolution_limits": [3.47,3.21],
"number_observations": 8518,
"number_observations_unique": 1298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 7.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.60
}
]
},
{
"resolution_limits": [3.80,3.47],
"number_observations": 7838,
"number_observations_unique": 1216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 8.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.40
}
]
},
{
"resolution_limits": [4.25,3.80],
"number_observations": 7069,
"number_observations_unique": 1086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.50
}
]
},
{
"resolution_limits": [4.91,4.25],
"number_observations": 6268,
"number_observations_unique": 988,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 10.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [6.01,4.91],
"number_observations": 5349,
"number_observations_unique": 855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 11.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [8.50,6.01],
"number_observations": 4132,
"number_observations_unique": 693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 12.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.00
}
]
},
{
"resolution_limits": [29.761,8.50],
"number_observations": 2183,
"number_observations_unique": 426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 12.4
},
{
"type": "Completeness",
"value": 97.60
},
{
"type": "Redundancy",
"value": 5.10
}
]
}
]
}