Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "974a00d616faf7eaa9f9b38fd7faddb8",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 107.477,
"b": 107.477,
"c": 87.643,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.450],
"number_observations_unique": 100712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.450],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.435
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [1.560,1.500],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.322
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [1.630,1.560],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [1.720,1.630],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [1.830,1.720],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [1.970,1.830],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.170,1.970],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [2.480,2.170],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [3.120,2.480],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [50.000,3.120],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 5.100
}
]
}
]
}