Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b5e6f83ca02881f0441ae3b5e2637da0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.296,
"b": 62.212,
"c": 69.549,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91993],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.282,1.492],
"number_observations_unique": 36416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 13.8
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 6.9
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations_unique": 1651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.468
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [1.550,1.530],
"number_observations_unique": 1717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.462
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [1.580,1.550],
"number_observations_unique": 1779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.425
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [1.620,1.580],
"number_observations_unique": 1797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.363
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [1.650,1.620],
"number_observations_unique": 1786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.690,1.650],
"number_observations_unique": 1799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [1.730,1.690],
"number_observations_unique": 1804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.780,1.730],
"number_observations_unique": 1800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.830,1.780],
"number_observations_unique": 1829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.890,1.830],
"number_observations_unique": 1808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.960,1.890],
"number_observations_unique": 1818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.040,1.960],
"number_observations_unique": 1822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.130,2.040],
"number_observations_unique": 1832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.240,2.130],
"number_observations_unique": 1853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [2.380,2.240],
"number_observations_unique": 1823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [2.560,2.380],
"number_observations_unique": 1846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.820,2.560],
"number_observations_unique": 1867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [3.230,2.820],
"number_observations_unique": 1880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [4.070,3.230],
"number_observations_unique": 1888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [50.000,4.070],
"number_observations_unique": 2017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.300
}
]
}
]
}