Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1185ad95a04c03a73e02412ea54e869d",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 74.719,
"b": 103.262,
"c": 98.619,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.260,1.900],
"number_observations_unique": 30046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.710
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.900],
"number_observations": 13745,
"number_observations_unique": 2928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.660
}
]
},
{
"resolution_limits": [2.050,1.970],
"number_observations": 13931,
"number_observations_unique": 2969,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.670
}
]
},
{
"resolution_limits": [2.140,2.050],
"number_observations": 13766,
"number_observations_unique": 2940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.660
}
]
},
{
"resolution_limits": [2.250,2.140],
"number_observations": 14067,
"number_observations_unique": 2987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.680
}
]
},
{
"resolution_limits": [2.390,2.250],
"number_observations": 14104,
"number_observations_unique": 2979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.690
}
]
},
{
"resolution_limits": [2.580,2.390],
"number_observations": 14215,
"number_observations_unique": 2990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.720
}
]
},
{
"resolution_limits": [2.840,2.580],
"number_observations": 14446,
"number_observations_unique": 3021,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.750
}
]
},
{
"resolution_limits": [3.250,2.840],
"number_observations": 14599,
"number_observations_unique": 3051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.760
}
]
},
{
"resolution_limits": [4.090,3.250],
"number_observations": 14710,
"number_observations_unique": 3059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 22.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.790
}
]
},
{
"resolution_limits": [31.260,4.090],
"number_observations": 14989,
"number_observations_unique": 3122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 23.500
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.720
}
]
}
]
}