Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dee1e593da1f6a366413dfb2062305d7",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 93.260,
"b": 93.260,
"c": 114.698,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91162,0.97966,0.97951],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.566,2.65],
"number_observations_unique": 9062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 15.8
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.72,2.65],
"number_observations": 6904,
"number_observations_unique": 645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.809
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.70
}
]
},
{
"resolution_limits": [2.79,2.72],
"number_observations": 6718,
"number_observations_unique": 633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.639
},
{
"type": "I/SigI",
"value": 3.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.60
}
]
},
{
"resolution_limits": [2.87,2.79],
"number_observations": 6584,
"number_observations_unique": 614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.527
},
{
"type": "I/SigI",
"value": 5.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.70
}
]
},
{
"resolution_limits": [2.96,2.87],
"number_observations": 6454,
"number_observations_unique": 600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.450
},
{
"type": "I/SigI",
"value": 5.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.80
}
]
},
{
"resolution_limits": [3.06,2.96],
"number_observations": 6248,
"number_observations_unique": 585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.361
},
{
"type": "I/SigI",
"value": 7.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.70
}
]
},
{
"resolution_limits": [3.17,3.06],
"number_observations": 5980,
"number_observations_unique": 564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.286
},
{
"type": "I/SigI",
"value": 8.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.60
}
]
},
{
"resolution_limits": [3.29,3.17],
"number_observations": 5835,
"number_observations_unique": 549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.60
}
]
},
{
"resolution_limits": [3.42,3.29],
"number_observations": 5600,
"number_observations_unique": 529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 12.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.60
}
]
},
{
"resolution_limits": [3.57,3.42],
"number_observations": 5332,
"number_observations_unique": 507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 15.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.50
}
]
},
{
"resolution_limits": [3.75,3.57],
"number_observations": 5160,
"number_observations_unique": 492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 20.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.50
}
]
},
{
"resolution_limits": [3.95,3.75],
"number_observations": 4851,
"number_observations_unique": 465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 20.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.40
}
]
},
{
"resolution_limits": [4.19,3.95],
"number_observations": 4631,
"number_observations_unique": 444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 24.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.40
}
]
},
{
"resolution_limits": [4.48,4.19],
"number_observations": 4386,
"number_observations_unique": 427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 29.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.30
}
]
},
{
"resolution_limits": [4.84,4.48],
"number_observations": 4001,
"number_observations_unique": 392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 29.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.20
}
]
},
{
"resolution_limits": [5.30,4.84],
"number_observations": 3705,
"number_observations_unique": 365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 28.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.20
}
]
},
{
"resolution_limits": [5.93,5.30],
"number_observations": 3428,
"number_observations_unique": 343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 24.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.00
}
]
},
{
"resolution_limits": [6.84,5.93],
"number_observations": 2967,
"number_observations_unique": 303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 24.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.80
}
]
},
{
"resolution_limits": [8.38,6.84],
"number_observations": 2484,
"number_observations_unique": 261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 32.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.50
}
]
},
{
"resolution_limits": [11.85,8.38],
"number_observations": 1970,
"number_observations_unique": 219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 43.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.00
}
]
},
{
"resolution_limits": [29.57,11.85],
"number_observations": 992,
"number_observations_unique": 125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 38.3
},
{
"type": "Completeness",
"value": 94.10
},
{
"type": "Redundancy",
"value": 7.90
}
]
}
]
}