Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6e2dcfe4608b61967b76fd6ea92a49b3",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 70.519,
"b": 70.519,
"c": 96.827,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.87260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.003,1.570],
"number_observations_unique": 32766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.600],
"number_observations": 23467,
"number_observations_unique": 4694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.746
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [1.790,1.690],
"number_observations": 22270,
"number_observations_unique": 4452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.480
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [1.910,1.790],
"number_observations": 20999,
"number_observations_unique": 4192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.290
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [2.070,1.910],
"number_observations": 19638,
"number_observations_unique": 3927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [2.260,2.070],
"number_observations": 18062,
"number_observations_unique": 3632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [2.530,2.260],
"number_observations": 16413,
"number_observations_unique": 3311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [2.920,2.530],
"number_observations": 14470,
"number_observations_unique": 2942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [3.580,2.920],
"number_observations": 12184,
"number_observations_unique": 2495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 17.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [5.060,3.580],
"number_observations": 9410,
"number_observations_unique": 1970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 21.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [49.864,5.060],
"number_observations": 5078,
"number_observations_unique": 1151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 19.100
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.400
}
]
}
]
}