Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d1fc904161e89d632526ed898dd39500",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 59.554,
"b": 59.554,
"c": 71.563,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97400,0.97980,0.97990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.775,1.600],
"number_observations_unique": 19879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.64,1.60],
"number_observations": 7098,
"number_observations_unique": 1434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.607
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.90
}
]
},
{
"resolution_limits": [1.69,1.64],
"number_observations": 7247,
"number_observations_unique": 1414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.549
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.10
}
]
},
{
"resolution_limits": [1.74,1.69],
"number_observations": 7024,
"number_observations_unique": 1359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.456
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.20
}
]
},
{
"resolution_limits": [1.79,1.74],
"number_observations": 7109,
"number_observations_unique": 1358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.20
}
]
},
{
"resolution_limits": [1.85,1.79],
"number_observations": 6698,
"number_observations_unique": 1282,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.20
}
]
},
{
"resolution_limits": [1.91,1.85],
"number_observations": 6635,
"number_observations_unique": 1256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [1.98,1.91],
"number_observations": 6533,
"number_observations_unique": 1243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [2.07,1.98],
"number_observations": 6022,
"number_observations_unique": 1153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 5.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.20
}
]
},
{
"resolution_limits": [2.16,2.07],
"number_observations": 5824,
"number_observations_unique": 1115,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 6.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.20
}
]
},
{
"resolution_limits": [2.26,2.16],
"number_observations": 5570,
"number_observations_unique": 1068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 8.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.20
}
]
},
{
"resolution_limits": [2.39,2.26],
"number_observations": 5393,
"number_observations_unique": 1046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 8.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.20
}
]
},
{
"resolution_limits": [2.53,2.39],
"number_observations": 4893,
"number_observations_unique": 950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 8.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.20
}
]
},
{
"resolution_limits": [2.70,2.53],
"number_observations": 4727,
"number_observations_unique": 925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 10.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.10
}
]
},
{
"resolution_limits": [2.92,2.70],
"number_observations": 4265,
"number_observations_unique": 855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 10.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.00
}
]
},
{
"resolution_limits": [3.20,2.92],
"number_observations": 3847,
"number_observations_unique": 791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 11.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.90
}
]
},
{
"resolution_limits": [3.58,3.20],
"number_observations": 3294,
"number_observations_unique": 729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 12.5
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 4.50
}
]
},
{
"resolution_limits": [4.13,3.58],
"number_observations": 3172,
"number_observations_unique": 633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 14.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.00
}
]
},
{
"resolution_limits": [5.06,4.13],
"number_observations": 2949,
"number_observations_unique": 562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.04
},
{
"type": "I/SigI",
"value": 15.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.20
}
]
},
{
"resolution_limits": [7.16,5.06],
"number_observations": 2225,
"number_observations_unique": 442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 13.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.00
}
]
},
{
"resolution_limits": [29.78,7.16],
"number_observations": 1201,
"number_observations_unique": 264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 13.4
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 4.50
}
]
}
]
}