Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cbbc8ba81167216e636ad0f5744848bf",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 32.270,
"b": 32.270,
"c": 210.602,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [22.820,1.500],
"number_observations": 56267,
"number_observations_unique": 17599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 3.110
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.500],
"number_observations": 5275,
"number_observations_unique": 1701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.560
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 3.010
}
]
},
{
"resolution_limits": [1.620,1.550],
"number_observations": 5755,
"number_observations_unique": 1722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.486
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 3.240
}
]
},
{
"resolution_limits": [1.690,1.620],
"number_observations": 5718,
"number_observations_unique": 1735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.381
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 3.190
}
]
},
{
"resolution_limits": [1.780,1.690],
"number_observations": 5450,
"number_observations_unique": 1722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 3.090
}
]
},
{
"resolution_limits": [1.890,1.780],
"number_observations": 5407,
"number_observations_unique": 1720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 3.030
}
]
},
{
"resolution_limits": [2.040,1.890],
"number_observations": 5804,
"number_observations_unique": 1778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.160
}
]
},
{
"resolution_limits": [2.240,2.040],
"number_observations": 5682,
"number_observations_unique": 1801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.090
}
]
},
{
"resolution_limits": [2.560,2.240],
"number_observations": 5721,
"number_observations_unique": 1818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.080
}
]
},
{
"resolution_limits": [3.230,2.560],
"number_observations": 5779,
"number_observations_unique": 1839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 17.300
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [22.820,3.230],
"number_observations": 5676,
"number_observations_unique": 1763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 31.700
},
{
"type": "Completeness",
"value": 83.400
},
{
"type": "Redundancy",
"value": 3.110
}
]
}
]
}