Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d85c661f528bbb6460f09252b3e50f95",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 67.493,
"b": 165.356,
"c": 95.869,
"alpha": 90.00,
"beta": 108.93,
"gamma": 90.00
},
"wavelengths": [0.98410],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20,1.980],
"number_observations_unique": 128527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 16.570
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 3.3
}
]
},
"refln_shells": [
{
"resolution_limits": [2.100,1.980],
"number_observations": 45886,
"number_observations_unique": 18529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 83.300
}
]
},
{
"resolution_limits": [2.250,2.100],
"number_observations": 61844,
"number_observations_unique": 21100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 8.9
},
{
"type": "Completeness",
"value": 97.900
}
]
},
{
"resolution_limits": [2.420,2.250],
"number_observations": 55136,
"number_observations_unique": 17889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 11.8
},
{
"type": "Completeness",
"value": 97.100
}
]
},
{
"resolution_limits": [2.650,2.420],
"number_observations": 54426,
"number_observations_unique": 17303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 14.4
},
{
"type": "Completeness",
"value": 96.500
}
]
},
{
"resolution_limits": [2.960,2.650],
"number_observations": 49259,
"number_observations_unique": 15535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 18.0
},
{
"type": "Completeness",
"value": 95.600
}
]
},
{
"resolution_limits": [3.400,2.960],
"number_observations": 42104,
"number_observations_unique": 13264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 23.5
},
{
"type": "Completeness",
"value": 94.400
}
]
},
{
"resolution_limits": [4.140,3.400],
"number_observations": 36001,
"number_observations_unique": 11254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 28.8
},
{
"type": "Completeness",
"value": 92.500
}
]
},
{
"resolution_limits": [5.720,4.140],
"number_observations": 28026,
"number_observations_unique": 8600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 32.1
},
{
"type": "Completeness",
"value": 91.100
}
]
},
{
"resolution_limits": [10.000,5.720],
"number_observations": 14156,
"number_observations_unique": 4223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 35.1
},
{
"type": "Completeness",
"value": 89.800
}
]
},
{
"resolution_limits": [20.000,10.000],
"number_observations": 2758,
"number_observations_unique": 830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 39.6
},
{
"type": "Completeness",
"value": 85.500
}
]
},
{
"resolution_limits": [30.000,20.000],
"quality_factors": [
]
},
{
"resolution_limits": [20,30.000],
"quality_factors": [
]
}
]
}