Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "af90d4501c8f62c88f6286830b989c6f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 84.136,
"b": 42.381,
"c": 154.014,
"alpha": 90.00,
"beta": 103.87,
"gamma": 90.00
},
"wavelengths": [0.97916],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.825,1.85],
"number_observations_unique": 45283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.95,1.85],
"number_observations": 29250,
"number_observations_unique": 6400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.611
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 97.20
},
{
"type": "Redundancy",
"value": 4.60
}
]
},
{
"resolution_limits": [2.07,1.95],
"number_observations": 32802,
"number_observations_unique": 6200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.466
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [2.21,2.07],
"number_observations": 31028,
"number_observations_unique": 5868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.353
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [2.39,2.21],
"number_observations": 28978,
"number_observations_unique": 5465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [2.62,2.39],
"number_observations": 26963,
"number_observations_unique": 5081,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [2.93,2.62],
"number_observations": 24120,
"number_observations_unique": 4548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 5.2
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [3.38,2.93],
"number_observations": 21467,
"number_observations_unique": 4049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 8.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [4.14,3.38],
"number_observations": 18146,
"number_observations_unique": 3426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 11.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [5.85,4.14],
"number_observations": 14103,
"number_observations_unique": 2722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 12.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.20
}
]
},
{
"resolution_limits": [40.825,5.85],
"number_observations": 7489,
"number_observations_unique": 1524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 13.8
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 4.90
}
]
}
]
}