Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b258e532886cc0ba7abf5eb5475b000e",
"space_group_name": "P 63 2 2",
"unit_cell": {
"a": 115.74,
"b": 115.74,
"c": 233.62,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00800,1.71000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46,1.600],
"number_observations_unique": 109553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 13.450
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 4.4
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.600],
"number_observations": 47364,
"number_observations_unique": 11853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.548
},
{
"type": "I/SigI",
"value": 3.610
},
{
"type": "Completeness",
"value": 59.400
}
]
},
{
"resolution_limits": [1.900,1.700],
"number_observations": 118419,
"number_observations_unique": 26298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.363
},
{
"type": "I/SigI",
"value": 6.050
},
{
"type": "Completeness",
"value": 92.500
}
]
},
{
"resolution_limits": [2.200,1.900],
"number_observations": 114068,
"number_observations_unique": 24782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 11.020
},
{
"type": "Completeness",
"value": 96.600
}
]
},
{
"resolution_limits": [2.600,2.200],
"number_observations": 80798,
"number_observations_unique": 18115,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 16.220
},
{
"type": "Completeness",
"value": 98.200
}
]
},
{
"resolution_limits": [3.100,2.600],
"number_observations": 50356,
"number_observations_unique": 11523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 20.690
},
{
"type": "Completeness",
"value": 98.200
}
]
},
{
"resolution_limits": [3.800,3.100],
"number_observations": 32561,
"number_observations_unique": 7646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 24.870
},
{
"type": "Completeness",
"value": 97.800
}
]
},
{
"resolution_limits": [4.500,3.800],
"number_observations": 15332,
"number_observations_unique": 3652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 28.050
},
{
"type": "Completeness",
"value": 97.300
}
]
},
{
"resolution_limits": [6.000,4.500],
"number_observations": 13712,
"number_observations_unique": 3235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 29.310
},
{
"type": "Completeness",
"value": 96.800
}
]
},
{
"resolution_limits": [8.000,6.000],
"number_observations": 5824,
"number_observations_unique": 1417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 31.880
},
{
"type": "Completeness",
"value": 96.700
}
]
},
{
"resolution_limits": [12.000,8.000],
"number_observations": 2776,
"number_observations_unique": 727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 33.460
},
{
"type": "Completeness",
"value": 92.100
}
]
},
{
"resolution_limits": [46.058,12.000],
"number_observations": 1055,
"number_observations_unique": 305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 29.960
},
{
"type": "Completeness",
"value": 78.800
}
]
}
]
}