Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cf17dc7943b3e9496cb29a69b3832712",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 69.96,
"b": 69.96,
"c": 92.02,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91840,0.97950,0.97960],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.772,1.85],
"number_observations_unique": 22750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 8.160
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.99
}
]
},
"refln_shells": [
{
"resolution_limits": [1.92,1.85],
"number_observations": 20840,
"number_observations_unique": 4428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.791
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 98.00
}
]
},
{
"resolution_limits": [1.99,1.92],
"number_observations": 18943,
"number_observations_unique": 3980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.676
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.08,1.99],
"number_observations": 20118,
"number_observations_unique": 4219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.513
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.19,2.08],
"number_observations": 20877,
"number_observations_unique": 4372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "I/SigI",
"value": 4.3
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.33,2.19],
"number_observations": 21081,
"number_observations_unique": 4412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "I/SigI",
"value": 5.2
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.51,2.33],
"number_observations": 20605,
"number_observations_unique": 4303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "I/SigI",
"value": 6.5
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.76,2.51],
"number_observations": 20446,
"number_observations_unique": 4276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "I/SigI",
"value": 8.4
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [3.16,2.76],
"number_observations": 20635,
"number_observations_unique": 4316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 11.5
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [3.98,3.16],
"number_observations": 20474,
"number_observations_unique": 4310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 17.3
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [28.772,3.98],
"number_observations": 20469,
"number_observations_unique": 4329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 20.5
},
{
"type": "Completeness",
"value": 99.70
}
]
}
]
}