Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c0c2b76dfc36b2ef1fa92c02e41920c4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.251,
"b": 72.949,
"c": 52.821,
"alpha": 90.00,
"beta": 109.68,
"gamma": 90.00
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.413,1.00],
"number_observations_unique": 165866,
"quality_factors": [
{
"type": "I/SigI",
"value": 11.290
},
{
"type": "Completeness",
"value": 94.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.06,1.00],
"number_observations": 137987,
"number_observations_unique": 28311,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.851
},
{
"type": "R(meas)",
"value": 2.024
},
{
"type": "I/SigI",
"value": 0.96
},
{
"type": "Completeness",
"value": 0.802
},
{
"type": "Redundancy",
"value": 4.87
},
{
"type": "CC(1/2)",
"value": 0.426
}
]
},
{
"resolution_limits": [1.13,1.06],
"number_observations": 177862,
"number_observations_unique": 26633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.967
},
{
"type": "R(meas)",
"value": 1.043
},
{
"type": "I/SigI",
"value": 2.15
},
{
"type": "Completeness",
"value": 0.953
},
{
"type": "Redundancy",
"value": 6.68
},
{
"type": "CC(1/2)",
"value": 0.800
}
]
},
{
"resolution_limits": [1.22,1.13],
"number_observations": 166342,
"number_observations_unique": 24809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.524
},
{
"type": "R(meas)",
"value": 0.566
},
{
"type": "I/SigI",
"value": 3.98
},
{
"type": "Completeness",
"value": 0.961
},
{
"type": "Redundancy",
"value": 6.70
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [1.34,1.22],
"number_observations": 155751,
"number_observations_unique": 22810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.343
},
{
"type": "R(meas)",
"value": 0.371
},
{
"type": "I/SigI",
"value": 6.06
},
{
"type": "Completeness",
"value": 0.969
},
{
"type": "Redundancy",
"value": 6.83
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [1.49,1.34],
"number_observations": 139630,
"number_observations_unique": 20677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "R(meas)",
"value": 0.209
},
{
"type": "I/SigI",
"value": 10.15
},
{
"type": "Completeness",
"value": 0.977
},
{
"type": "Redundancy",
"value": 6.75
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [1.73,1.49],
"number_observations": 121893,
"number_observations_unique": 18246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 16.73
},
{
"type": "Completeness",
"value": 0.982
},
{
"type": "Redundancy",
"value": 6.68
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.11,1.73],
"number_observations": 108278,
"number_observations_unique": 15472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 27.03
},
{
"type": "Completeness",
"value": 0.989
},
{
"type": "Redundancy",
"value": 7.00
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.98,2.11],
"number_observations": 83517,
"number_observations_unique": 11993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 33.67
},
{
"type": "Completeness",
"value": 0.993
},
{
"type": "Redundancy",
"value": 6.96
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.00,2.98],
"number_observations": 46409,
"number_observations_unique": 6674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 37.65
},
{
"type": "Completeness",
"value": 0.993
},
{
"type": "Redundancy",
"value": 6.95
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}