Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "159f5b844c384665d0786d2a8aa244e2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 77.897,
"b": 63.487,
"c": 55.465,
"alpha": 90.00,
"beta": 131.11,
"gamma": 90.00
},
"wavelengths": [0.91837,0.97840,0.97883],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.348,1.50],
"number_observations_unique": 32401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 9.970
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.0
}
]
},
"refln_shells": [
{
"resolution_limits": [1.55,1.50],
"number_observations": 8022,
"number_observations_unique": 5479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.388
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 90.90
}
]
},
{
"resolution_limits": [1.62,1.55],
"number_observations": 10850,
"number_observations_unique": 7054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.324
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 97.00
}
]
},
{
"resolution_limits": [1.69,1.62],
"number_observations": 9210,
"number_observations_unique": 5968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 97.80
}
]
},
{
"resolution_limits": [1.78,1.69],
"number_observations": 9737,
"number_observations_unique": 6318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "I/SigI",
"value": 3.7
},
{
"type": "Completeness",
"value": 97.60
}
]
},
{
"resolution_limits": [1.89,1.78],
"number_observations": 9612,
"number_observations_unique": 6204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 5.3
},
{
"type": "Completeness",
"value": 97.80
}
]
},
{
"resolution_limits": [2.04,1.89],
"number_observations": 9989,
"number_observations_unique": 6446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 7.8
},
{
"type": "Completeness",
"value": 97.70
}
]
},
{
"resolution_limits": [2.24,2.04],
"number_observations": 9526,
"number_observations_unique": 6117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 11.0
},
{
"type": "Completeness",
"value": 97.50
}
]
},
{
"resolution_limits": [2.56,2.24],
"number_observations": 9791,
"number_observations_unique": 6253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 14.1
},
{
"type": "Completeness",
"value": 97.60
}
]
},
{
"resolution_limits": [3.23,2.56],
"number_observations": 9980,
"number_observations_unique": 6315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 19.8
},
{
"type": "Completeness",
"value": 96.80
}
]
},
{
"resolution_limits": [29.348,3.23],
"number_observations": 9988,
"number_observations_unique": 6241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 30.6
},
{
"type": "Completeness",
"value": 95.40
}
]
}
]
}