Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "df647d2e486333904d9ac180f4419472",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 114.661,
"b": 162.211,
"c": 47.346,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.252,1.800],
"number_observations_unique": 81356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.800],
"number_observations": 68282,
"number_observations_unique": 11889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.424
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [2.010,1.900],
"number_observations": 65376,
"number_observations_unique": 11239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.150,2.010],
"number_observations": 61630,
"number_observations_unique": 10544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.320,2.150],
"number_observations": 57852,
"number_observations_unique": 9845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [2.550,2.320],
"number_observations": 53381,
"number_observations_unique": 9036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [2.850,2.550],
"number_observations": 48328,
"number_observations_unique": 8152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [3.290,2.850],
"number_observations": 42722,
"number_observations_unique": 7186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [4.020,3.290],
"number_observations": 36304,
"number_observations_unique": 6085,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [5.690,4.020],
"number_observations": 28152,
"number_observations_unique": 4736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [29.252,5.690],
"number_observations": 14995,
"number_observations_unique": 2644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 5.700
}
]
}
]
}