Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a1d1b0723be75139d4802933bb16a403",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 38.003,
"b": 66.538,
"c": 75.795,
"alpha": 90.00,
"beta": 93.11,
"gamma": 90.00
},
"wavelengths": [0.97916],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.760],
"number_observations_unique": 37088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.760],
"number_observations_unique": 1650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "Completeness",
"value": 87.400
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.820,1.790],
"number_observations_unique": 1866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.860,1.820],
"number_observations_unique": 1837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.900,1.860],
"number_observations_unique": 1906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [1.940,1.900],
"number_observations_unique": 1858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [1.980,1.940],
"number_observations_unique": 1866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.030,1.980],
"number_observations_unique": 1859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.090,2.030],
"number_observations_unique": 1869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.150,2.090],
"number_observations_unique": 1876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.220,2.150],
"number_observations_unique": 1874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.300,2.220],
"number_observations_unique": 1864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.390,2.300],
"number_observations_unique": 1889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.500,2.390],
"number_observations_unique": 1815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.630,2.500],
"number_observations_unique": 1884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.790,2.630],
"number_observations_unique": 1879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.010,2.790],
"number_observations_unique": 1870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.310,3.010],
"number_observations_unique": 1872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [3.790,3.310],
"number_observations_unique": 1844,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [4.780,3.790],
"number_observations_unique": 1859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [50.000,4.780],
"number_observations_unique": 1851,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.500
}
]
}
]
}