Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6a18532f07fac8fddf316ca7ca76ec6f",
"space_group_name": "P 63",
"unit_cell": {
"a": 108.037,
"b": 108.037,
"c": 181.027,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [93.563,2.168],
"number_observations_unique": 63148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.290,2.170],
"number_observations": 39868,
"number_observations_unique": 9112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.583
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.420,2.290],
"number_observations": 38522,
"number_observations_unique": 8717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.389
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.590,2.420],
"number_observations": 36155,
"number_observations_unique": 8183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.800,2.590],
"number_observations": 33708,
"number_observations_unique": 7646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [3.070,2.800],
"number_observations": 30978,
"number_observations_unique": 7038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [3.430,3.070],
"number_observations": 27723,
"number_observations_unique": 6346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [3.960,3.430],
"number_observations": 23929,
"number_observations_unique": 5627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 20.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [4.850,3.960],
"number_observations": 21177,
"number_observations_unique": 4751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 26.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [6.860,4.850],
"number_observations": 16312,
"number_observations_unique": 3682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 26.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [93.563,6.860],
"number_observations": 8730,
"number_observations_unique": 2046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 26.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.300
}
]
}
]
}