Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "78f182bbb6f9a62c29b8103e42019d79",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 104.990,
"b": 85.606,
"c": 44.935,
"alpha": 90.00,
"beta": 93.87,
"gamma": 90.00
},
"wavelengths": [0.93930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.286,2.302],
"number_observations_unique": 16843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 22.900
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.420,2.302],
"number_observations": 9951,
"number_observations_unique": 1837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.417
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 73.400
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [2.570,2.420],
"number_observations": 14503,
"number_observations_unique": 2307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.750,2.570],
"number_observations": 17408,
"number_observations_unique": 2288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.970,2.750],
"number_observations": 16350,
"number_observations_unique": 2149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [3.250,2.970],
"number_observations": 14891,
"number_observations_unique": 1955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [3.640,3.250],
"number_observations": 13510,
"number_observations_unique": 1771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [4.200,3.640],
"number_observations": 12061,
"number_observations_unique": 1590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [5.140,4.200],
"number_observations": 9969,
"number_observations_unique": 1324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [7.270,5.140],
"number_observations": 7721,
"number_observations_unique": 1042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [44.833,7.270],
"number_observations": 4198,
"number_observations_unique": 580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.200
}
]
}
]
}