Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "505ef34bf55e652e9660a9505e253bb7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 21.48,
"b": 4.95,
"c": 23.87,
"alpha": 90.00,
"beta": 103.95,
"gamma": 90.00
},
"wavelengths": [0.02510],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [90.000,1.000],
"number_observations": 13199,
"number_observations_unique": 2712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 85.800
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.080,1.000],
"number_observations_unique": 460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.362
},
{
"type": "Completeness",
"value": 79.900
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [1.190,1.080],
"number_observations_unique": 541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.293
},
{
"type": "Completeness",
"value": 85.900
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [1.360,1.190],
"number_observations_unique": 533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "Completeness",
"value": 87.500
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [1.710,1.360],
"number_observations_unique": 581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "Completeness",
"value": 89.500
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [90.000,1.710],
"number_observations_unique": 597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "Completeness",
"value": 85.800
},
{
"type": "Redundancy",
"value": 5.300
}
]
}
]
}