Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9af3a4836acd40ee945ec0d1086f926a",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 58.290,
"b": 86.259,
"c": 46.299,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97610],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.297,1.540],
"number_observations_unique": 29415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 83.700
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.540],
"number_observations": 7120,
"number_observations_unique": 2103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.791
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 42.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.720,1.620],
"number_observations": 10625,
"number_observations_unique": 2901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.548
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 61.300
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [1.840,1.720],
"number_observations": 16203,
"number_observations_unique": 4057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.364
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.990,1.840],
"number_observations": 16711,
"number_observations_unique": 4073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.180,1.990],
"number_observations": 15477,
"number_observations_unique": 3806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.430,2.180],
"number_observations": 14052,
"number_observations_unique": 3465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.810,2.430],
"number_observations": 12298,
"number_observations_unique": 3060,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.440,2.810],
"number_observations": 10475,
"number_observations_unique": 2651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 19.200
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [4.870,3.440],
"number_observations": 7986,
"number_observations_unique": 2087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 24.300
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [48.297,4.870],
"number_observations": 4485,
"number_observations_unique": 1212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 26.400
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.700
}
]
}
]
}