Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a326f64bab815f0289aa1aca6de8a2f9",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 92.16,
"b": 42.23,
"c": 62.02,
"alpha": 90.00,
"beta": 91.59,
"gamma": 90.00
},
"wavelengths": [0.91837,0.97956,0.97908],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [26.055,2.00],
"number_observations_unique": 16307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 8.880
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
"refln_shells": [
{
"resolution_limits": [2.07,2.00],
"number_observations": 5490,
"number_observations_unique": 2885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.459
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 92.90
}
]
},
{
"resolution_limits": [2.15,2.07],
"number_observations": 5869,
"number_observations_unique": 3059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.379
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 98.70
}
]
},
{
"resolution_limits": [2.25,2.15],
"number_observations": 6207,
"number_observations_unique": 3211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 98.90
}
]
},
{
"resolution_limits": [2.37,2.25],
"number_observations": 6144,
"number_observations_unique": 3185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 99.20
}
]
},
{
"resolution_limits": [2.52,2.37],
"number_observations": 6156,
"number_observations_unique": 3185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 4.5
},
{
"type": "Completeness",
"value": 99.00
}
]
},
{
"resolution_limits": [2.71,2.52],
"number_observations": 5983,
"number_observations_unique": 3086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 5.7
},
{
"type": "Completeness",
"value": 99.00
}
]
},
{
"resolution_limits": [2.99,2.71],
"number_observations": 6264,
"number_observations_unique": 3228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 8.7
},
{
"type": "Completeness",
"value": 98.90
}
]
},
{
"resolution_limits": [3.42,2.99],
"number_observations": 6059,
"number_observations_unique": 3109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 13.6
},
{
"type": "Completeness",
"value": 98.50
}
]
},
{
"resolution_limits": [4.30,3.42],
"number_observations": 6060,
"number_observations_unique": 3098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 20.4
},
{
"type": "Completeness",
"value": 98.30
}
]
},
{
"resolution_limits": [26.06,4.30],
"number_observations": 6127,
"number_observations_unique": 3130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 25.1
},
{
"type": "Completeness",
"value": 97.90
}
]
}
]
}