Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6c388d7db7f71301de5ed93be5899d48",
"space_group_name": "I 4",
"unit_cell": {
"a": 156.910,
"b": 156.910,
"c": 75.837,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.505,2.115],
"number_observations": 350427,
"number_observations_unique": 50630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.230,2.120],
"number_observations": 20637,
"number_observations_unique": 5593,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.018
},
{
"type": "R(pim)",
"value": 0.564
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 73.500
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.360,2.230],
"number_observations": 47025,
"number_observations_unique": 7212,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.036
},
{
"type": "R(pim)",
"value": 0.442
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [2.530,2.360],
"number_observations": 50955,
"number_observations_unique": 6837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.735
},
{
"type": "R(pim)",
"value": 0.290
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.730,2.530],
"number_observations": 45851,
"number_observations_unique": 6344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.480
},
{
"type": "R(pim)",
"value": 0.193
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.990,2.730],
"number_observations": 42708,
"number_observations_unique": 5857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "R(pim)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.340,2.990],
"number_observations": 40815,
"number_observations_unique": 5299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [3.860,3.340],
"number_observations": 35953,
"number_observations_unique": 4681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [4.730,3.860],
"number_observations": 30344,
"number_observations_unique": 3977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [6.690,4.730],
"number_observations": 23389,
"number_observations_unique": 3088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [51.505,6.690],
"number_observations": 12750,
"number_observations_unique": 1742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.300
}
]
}
]
}