Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "804c2c30f75ef1255adcdc46bdaacc0a",
"space_group_name": "P 42",
"unit_cell": {
"a": 79.49,
"b": 79.49,
"c": 91.93,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97945],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.48,1.85],
"number_observations_unique": 48723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 30.8
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 6.7
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.850],
"number_observations": 48066,
"number_observations_unique": 7042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.070,1.950],
"number_observations": 45433,
"number_observations_unique": 6720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.210,2.070],
"number_observations": 40353,
"number_observations_unique": 6359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.390,2.210],
"number_observations": 41597,
"number_observations_unique": 5848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.620,2.390],
"number_observations": 37648,
"number_observations_unique": 5429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [2.920,2.620],
"number_observations": 32349,
"number_observations_unique": 4890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [3.380,2.920],
"number_observations": 27151,
"number_observations_unique": 4346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 21.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [4.130,3.380],
"number_observations": 25291,
"number_observations_unique": 3663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 26.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [5.850,4.130],
"number_observations": 17984,
"number_observations_unique": 2840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 27.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [36.481,5.850],
"number_observations": 10862,
"number_observations_unique": 1586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 22.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.800
}
]
}
]
}