Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a658699ff5f1ebfcfb63921ff4c74bd3",
"space_group_name": "P 64 2 2",
"unit_cell": {
"a": 172.999,
"b": 172.999,
"c": 192.574,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91837,0.97904,0.97932],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.961,2.50],
"number_observations_unique": 59155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.56,2.50],
"number_observations": 47319,
"number_observations_unique": 4302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.864
},
{
"type": "I/SigI",
"value": 0.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 11.00
}
]
},
{
"resolution_limits": [2.64,2.56],
"number_observations": 46118,
"number_observations_unique": 4195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.676
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 11.00
}
]
},
{
"resolution_limits": [2.71,2.64],
"number_observations": 44831,
"number_observations_unique": 4087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.599
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 11.00
}
]
},
{
"resolution_limits": [2.80,2.71],
"number_observations": 43474,
"number_observations_unique": 3961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.463
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 11.00
}
]
},
{
"resolution_limits": [2.89,2.80],
"number_observations": 42498,
"number_observations_unique": 3870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.385
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 11.00
}
]
},
{
"resolution_limits": [2.99,2.89],
"number_observations": 40839,
"number_observations_unique": 3716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 11.00
}
]
},
{
"resolution_limits": [3.10,2.99],
"number_observations": 39532,
"number_observations_unique": 3609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 11.00
}
]
},
{
"resolution_limits": [3.23,3.10],
"number_observations": 38079,
"number_observations_unique": 3480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.90
}
]
},
{
"resolution_limits": [3.37,3.23],
"number_observations": 36487,
"number_observations_unique": 3338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 4.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.90
}
]
},
{
"resolution_limits": [3.54,3.37],
"number_observations": 34768,
"number_observations_unique": 3202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 5.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.90
}
]
},
{
"resolution_limits": [3.73,3.54],
"number_observations": 33111,
"number_observations_unique": 3047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.90
}
]
},
{
"resolution_limits": [3.95,3.73],
"number_observations": 31302,
"number_observations_unique": 2904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 4.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.80
}
]
},
{
"resolution_limits": [4.23,3.95],
"number_observations": 29469,
"number_observations_unique": 2737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 8.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.80
}
]
},
{
"resolution_limits": [4.56,4.23],
"number_observations": 27343,
"number_observations_unique": 2563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 8.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.70
}
]
},
{
"resolution_limits": [5.00,4.56],
"number_observations": 24873,
"number_observations_unique": 2351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 8.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.60
}
]
},
{
"resolution_limits": [5.59,5.00],
"number_observations": 22795,
"number_observations_unique": 2162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 8.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.50
}
]
},
{
"resolution_limits": [6.45,5.59],
"number_observations": 20114,
"number_observations_unique": 1922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 8.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.50
}
]
},
{
"resolution_limits": [7.91,6.45],
"number_observations": 16927,
"number_observations_unique": 1654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 9.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.20
}
]
},
{
"resolution_limits": [11.18,7.91],
"number_observations": 12959,
"number_observations_unique": 1310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 12.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.90
}
]
},
{
"resolution_limits": [29.96,11.18],
"number_observations": 6665,
"number_observations_unique": 745,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 10.5
},
{
"type": "Completeness",
"value": 94.80
},
{
"type": "Redundancy",
"value": 8.90
}
]
}
]
}