Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "490d3c1c29eb9feed3f8a6ae2d8a2140",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 30.863,
"b": 82.242,
"c": 32.074,
"alpha": 90.00,
"beta": 117.66,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.12,1.58],
"number_observations_unique": 18681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 18.9
},
{
"type": "Completeness",
"value": 96.3
},
{
"type": "Redundancy",
"value": 3.3
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.580],
"number_observations": 8149,
"number_observations_unique": 2635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [1.770,1.670],
"number_observations": 9051,
"number_observations_unique": 2603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.890,1.770],
"number_observations": 8137,
"number_observations_unique": 2439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [2.040,1.890],
"number_observations": 7889,
"number_observations_unique": 2300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.230,2.040],
"number_observations": 6872,
"number_observations_unique": 2101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [2.500,2.230],
"number_observations": 6356,
"number_observations_unique": 1915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [2.880,2.500],
"number_observations": 5454,
"number_observations_unique": 1671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [3.530,2.880],
"number_observations": 4540,
"number_observations_unique": 1387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [5.000,3.530],
"number_observations": 3219,
"number_observations_unique": 1048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [41.121,5.000],
"number_observations": 1813,
"number_observations_unique": 582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 3.100
}
]
}
]
}