Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c661853b55e7504cfb41d874cb1011f5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.295,
"b": 41.438,
"c": 72.600,
"alpha": 90.00,
"beta": 104.66,
"gamma": 90.00
},
"wavelengths": [1.10000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.600],
"number_observations_unique": 31878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 19.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations_unique": 1428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [1.660,1.630],
"number_observations_unique": 1546,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [1.690,1.660],
"number_observations_unique": 1601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [1.720,1.690],
"number_observations_unique": 1567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [1.760,1.720],
"number_observations_unique": 1570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [1.800,1.760],
"number_observations_unique": 1592,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.850,1.800],
"number_observations_unique": 1605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.900,1.850],
"number_observations_unique": 1569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 1593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.020,1.950],
"number_observations_unique": 1621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.090,2.020],
"number_observations_unique": 1577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.170,2.090],
"number_observations_unique": 1591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.270,2.170],
"number_observations_unique": 1617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.390,2.270],
"number_observations_unique": 1620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.540,2.390],
"number_observations_unique": 1599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.740,2.540],
"number_observations_unique": 1614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [3.010,2.740],
"number_observations_unique": 1631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [3.450,3.010],
"number_observations_unique": 1620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [4.340,3.450],
"number_observations_unique": 1619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [50.000,4.340],
"number_observations_unique": 1698,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
}
]
}