Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5cccf590d99b314c56a0d2247d229de7",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 102.627,
"b": 76.024,
"c": 81.315,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91837,0.97917,0.97894],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.386,1.95],
"number_observations_unique": 47006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.00,1.95],
"number_observations": 12026,
"number_observations_unique": 3396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.575
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [2.06,2.00],
"number_observations": 11770,
"number_observations_unique": 3325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.442
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [2.12,2.06],
"number_observations": 11547,
"number_observations_unique": 3239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.377
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.18,2.12],
"number_observations": 11355,
"number_observations_unique": 3167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.25,2.18],
"number_observations": 11094,
"number_observations_unique": 3065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.33,2.25],
"number_observations": 10873,
"number_observations_unique": 3004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.42,2.33],
"number_observations": 10378,
"number_observations_unique": 2843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "I/SigI",
"value": 3.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.52,2.42],
"number_observations": 10103,
"number_observations_unique": 2779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 4.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.63,2.52],
"number_observations": 9711,
"number_observations_unique": 2669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 5.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.76,2.63],
"number_observations": 9295,
"number_observations_unique": 2547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 6.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.91,2.76],
"number_observations": 8838,
"number_observations_unique": 2433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 7.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [3.08,2.91],
"number_observations": 8356,
"number_observations_unique": 2296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 8.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [3.30,3.08],
"number_observations": 7877,
"number_observations_unique": 2174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 9.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [3.56,3.30],
"number_observations": 7340,
"number_observations_unique": 2034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 12.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [3.90,3.56],
"number_observations": 6751,
"number_observations_unique": 1874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 14.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [4.36,3.90],
"number_observations": 6136,
"number_observations_unique": 1711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 15.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [5.03,4.36],
"number_observations": 5439,
"number_observations_unique": 1528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 13.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [6.17,5.03],
"number_observations": 4520,
"number_observations_unique": 1295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 12.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [8.72,6.17],
"number_observations": 3497,
"number_observations_unique": 1041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 14.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [29.386,8.72],
"number_observations": 1860,
"number_observations_unique": 586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 13.6
},
{
"type": "Completeness",
"value": 96.80
},
{
"type": "Redundancy",
"value": 3.20
}
]
}
]
}