Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8c5b44b16a0b1db0994c8bec468caee8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 80.39,
"b": 68.08,
"c": 88.24,
"alpha": 90.00,
"beta": 112.22,
"gamma": 90.00
},
"wavelengths": [0.94642,0.97925,0.97902],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.341,2.200],
"number_observations_unique": 22404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 13.880
},
{
"type": "Completeness",
"value": 94.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.27,2.20],
"number_observations": 5582,
"number_observations_unique": 3464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.29
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 76.40
}
]
},
{
"resolution_limits": [2.36,2.27],
"number_observations": 7255,
"number_observations_unique": 4079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 93.30
}
]
},
{
"resolution_limits": [2.47,2.36],
"number_observations": 7675,
"number_observations_unique": 4323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "I/SigI",
"value": 3.9
},
{
"type": "Completeness",
"value": 94.60
}
]
},
{
"resolution_limits": [2.60,2.47],
"number_observations": 7496,
"number_observations_unique": 4200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 5.2
},
{
"type": "Completeness",
"value": 94.50
}
]
},
{
"resolution_limits": [2.76,2.60],
"number_observations": 7441,
"number_observations_unique": 4167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 6.5
},
{
"type": "Completeness",
"value": 95.10
}
]
},
{
"resolution_limits": [2.97,2.76],
"number_observations": 7645,
"number_observations_unique": 4277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 8.9
},
{
"type": "Completeness",
"value": 97.00
}
]
},
{
"resolution_limits": [3.27,2.97],
"number_observations": 7888,
"number_observations_unique": 4413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 14.0
},
{
"type": "Completeness",
"value": 98.10
}
]
},
{
"resolution_limits": [3.74,3.27],
"number_observations": 7864,
"number_observations_unique": 4381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "I/SigI",
"value": 21.9
},
{
"type": "Completeness",
"value": 98.90
}
]
},
{
"resolution_limits": [28.341,3.74],
"number_observations": 7961,
"number_observations_unique": 4385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 31.4
},
{
"type": "Completeness",
"value": 99.00
}
]
}
]
}