Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1f54c79b58ff43b0cf3c9f90415c0ad7",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 184.329,
"b": 59.716,
"c": 67.527,
"alpha": 90.00,
"beta": 94.68,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [91.858,1.449],
"number_observations_unique": 109585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 84.800
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.450],
"number_observations": 30907,
"number_observations_unique": 11872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.447
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 62.900
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [1.620,1.530],
"number_observations": 53827,
"number_observations_unique": 12315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.446
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 69.300
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [1.730,1.620],
"number_observations": 108764,
"number_observations_unique": 14060,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.353
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 84.000
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [1.870,1.730],
"number_observations": 112800,
"number_observations_unique": 13880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
{
"resolution_limits": [2.050,1.870],
"number_observations": 111040,
"number_observations_unique": 13403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 8.300
}
]
},
{
"resolution_limits": [2.290,2.050],
"number_observations": 107342,
"number_observations_unique": 12313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 8.700
}
]
},
{
"resolution_limits": [2.650,2.290],
"number_observations": 97694,
"number_observations_unique": 10983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 8.900
}
]
},
{
"resolution_limits": [3.240,2.650],
"number_observations": 93159,
"number_observations_unique": 9379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 9.900
}
]
},
{
"resolution_limits": [4.590,3.240],
"number_observations": 84335,
"number_observations_unique": 7323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 11.500
}
]
},
{
"resolution_limits": [19.789,4.590],
"number_observations": 44173,
"number_observations_unique": 4057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 10.900
}
]
}
]
}