Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "18a48f5d7c530cdc3d07105a13e846a9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.765,
"b": 68.724,
"c": 112.056,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97870],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.840],
"number_observations_unique": 42560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 10.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.870,1.840],
"number_observations_unique": 1870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.642
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [1.910,1.870],
"number_observations_unique": 2083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.555
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [1.940,1.910],
"number_observations_unique": 2091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.489
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 8.600
}
]
},
{
"resolution_limits": [1.980,1.940],
"number_observations_unique": 2088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.422
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 9.500
}
]
},
{
"resolution_limits": [2.030,1.980],
"number_observations_unique": 2148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.900
}
]
},
{
"resolution_limits": [2.070,2.030],
"number_observations_unique": 2093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.312
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.200
}
]
},
{
"resolution_limits": [2.120,2.070],
"number_observations_unique": 2082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.200
}
]
},
{
"resolution_limits": [2.180,2.120],
"number_observations_unique": 2138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.300
}
]
},
{
"resolution_limits": [2.250,2.180],
"number_observations_unique": 2124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.300
}
]
},
{
"resolution_limits": [2.320,2.250],
"number_observations_unique": 2118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.500
}
]
},
{
"resolution_limits": [2.400,2.320],
"number_observations_unique": 2127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.500
}
]
},
{
"resolution_limits": [2.500,2.400],
"number_observations_unique": 2131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [2.610,2.500],
"number_observations_unique": 2152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [2.750,2.610],
"number_observations_unique": 2145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [2.920,2.750],
"number_observations_unique": 2133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [3.150,2.920],
"number_observations_unique": 2151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [3.460,3.150],
"number_observations_unique": 2170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [3.960,3.460],
"number_observations_unique": 2166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [4.990,3.960],
"number_observations_unique": 2214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.500
}
]
},
{
"resolution_limits": [50.000,4.990],
"number_observations_unique": 2336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.000
}
]
}
]
}