Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "23edf5f5fec2587b2fc2da95ad2c3997",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.304,
"b": 72.952,
"c": 52.716,
"alpha": 90.00,
"beta": 109.46,
"gamma": 90.00
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.703,1.01],
"number_observations_unique": 163688,
"quality_factors": [
{
"type": "I/SigI",
"value": 7.760
},
{
"type": "Completeness",
"value": 96.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.07,1.01],
"number_observations": 152493,
"number_observations_unique": 27319,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.897
},
{
"type": "R(meas)",
"value": 2.068
},
{
"type": "I/SigI",
"value": 0.62
},
{
"type": "Completeness",
"value": 0.886
},
{
"type": "Redundancy",
"value": 5.58
},
{
"type": "CC(1/2)",
"value": 0.301
}
]
},
{
"resolution_limits": [1.14,1.07],
"number_observations": 173962,
"number_observations_unique": 25764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.937
},
{
"type": "R(meas)",
"value": 1.011
},
{
"type": "I/SigI",
"value": 1.50
},
{
"type": "Completeness",
"value": 0.964
},
{
"type": "Redundancy",
"value": 6.75
},
{
"type": "CC(1/2)",
"value": 0.706
}
]
},
{
"resolution_limits": [1.23,1.14],
"number_observations": 162683,
"number_observations_unique": 23968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.551
},
{
"type": "R(meas)",
"value": 0.595
},
{
"type": "I/SigI",
"value": 2.70
},
{
"type": "Completeness",
"value": 0.970
},
{
"type": "Redundancy",
"value": 6.79
},
{
"type": "CC(1/2)",
"value": 0.870
}
]
},
{
"resolution_limits": [1.35,1.23],
"number_observations": 152122,
"number_observations_unique": 22046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.360
},
{
"type": "R(meas)",
"value": 0.389
},
{
"type": "I/SigI",
"value": 4.26
},
{
"type": "Completeness",
"value": 0.977
},
{
"type": "Redundancy",
"value": 6.90
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [1.51,1.35],
"number_observations": 137132,
"number_observations_unique": 19975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "R(meas)",
"value": 0.227
},
{
"type": "I/SigI",
"value": 7.40
},
{
"type": "Completeness",
"value": 0.983
},
{
"type": "Redundancy",
"value": 6.87
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [1.75,1.51],
"number_observations": 120078,
"number_observations_unique": 17617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 12.13
},
{
"type": "Completeness",
"value": 0.989
},
{
"type": "Redundancy",
"value": 6.82
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.14,1.75],
"number_observations": 105931,
"number_observations_unique": 14901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 18.92
},
{
"type": "Completeness",
"value": 0.996
},
{
"type": "Redundancy",
"value": 7.11
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.02,2.14],
"number_observations": 81085,
"number_observations_unique": 11593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 22.82
},
{
"type": "Completeness",
"value": 0.997
},
{
"type": "Redundancy",
"value": 6.99
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [50.00,3.02],
"number_observations": 45118,
"number_observations_unique": 6456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 25.22
},
{
"type": "Completeness",
"value": 0.995
},
{
"type": "Redundancy",
"value": 6.99
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}