Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "acc2b5fdde3b8aa3f6abd42154e27ed9",
"space_group_name": "P 1",
"unit_cell": {
"a": 9.536,
"b": 26.008,
"c": 25.803,
"alpha": 62.28,
"beta": 88.59,
"gamma": 88.45
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [90.000,1.800],
"number_observations_unique": 1870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.800],
"number_observations_unique": 304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.414
},
{
"type": "Completeness",
"value": 71.700
},
{
"type": "Redundancy",
"value": 1.700
}
]
},
{
"resolution_limits": [2.130,1.940],
"number_observations_unique": 367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.365
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [2.440,2.130],
"number_observations_unique": 402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.387
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [3.080,2.440],
"number_observations_unique": 403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.307
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [90.000,3.080],
"number_observations_unique": 394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.400
}
]
}
]
}