Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "99aa8f5d0546aaf756932cd9031a3382",
"space_group_name": "I 21 21 21",
"unit_cell": {
"a": 43.082,
"b": 74.345,
"c": 235.812,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91837,0.97898,0.97922],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.809,1.54],
"number_observations_unique": 56674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.62,1.54],
"number_observations": 49670,
"number_observations_unique": 8162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.680
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 6.10
}
]
},
{
"resolution_limits": [1.72,1.62],
"number_observations": 47200,
"number_observations_unique": 7757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.522
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 6.10
}
]
},
{
"resolution_limits": [1.84,1.72],
"number_observations": 44387,
"number_observations_unique": 7257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.353
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.10
}
]
},
{
"resolution_limits": [1.99,1.84],
"number_observations": 41517,
"number_observations_unique": 6789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.10
}
]
},
{
"resolution_limits": [2.18,1.99],
"number_observations": 38406,
"number_observations_unique": 6276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.10
}
]
},
{
"resolution_limits": [2.43,2.18],
"number_observations": 34879,
"number_observations_unique": 5701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 9.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.10
}
]
},
{
"resolution_limits": [2.81,2.43],
"number_observations": 30886,
"number_observations_unique": 5059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 12.8
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 6.10
}
]
},
{
"resolution_limits": [3.44,2.81],
"number_observations": 26159,
"number_observations_unique": 4315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 18.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.10
}
]
},
{
"resolution_limits": [4.87,3.44],
"number_observations": 20151,
"number_observations_unique": 3390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 26.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.90
}
]
},
{
"resolution_limits": [39.809,4.87],
"number_observations": 10813,
"number_observations_unique": 1968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 23.1
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 5.50
}
]
}
]
}