Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f81999091925e90930f7c6c98d3124de",
"space_group_name": "P 31",
"unit_cell": {
"a": 89.550,
"b": 89.550,
"c": 64.411,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.52000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [26.6800,1.800],
"number_observations_unique": 51230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.800],
"number_observations": 21952,
"number_observations_unique": 6551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.522
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 83.900
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.010,1.900],
"number_observations": 22103,
"number_observations_unique": 6852,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.328
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [2.150,2.010],
"number_observations": 22905,
"number_observations_unique": 6700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.320,2.150],
"number_observations": 24374,
"number_observations_unique": 6334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.550,2.320],
"number_observations": 25806,
"number_observations_unique": 5935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.850,2.550],
"number_observations": 25164,
"number_observations_unique": 5333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [3.290,2.850],
"number_observations": 23120,
"number_observations_unique": 4741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [4.020,3.290],
"number_observations": 19946,
"number_observations_unique": 4024,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [5.690,4.020],
"number_observations": 15382,
"number_observations_unique": 3068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [26.145,5.690],
"number_observations": 8414,
"number_observations_unique": 1692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.000
}
]
}
]
}