Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fc2c7c161c8f3dc2ca3abf3683e0c14b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 88.549,
"b": 81.767,
"c": 93.212,
"alpha": 90.00,
"beta": 108.27,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.04,1.61],
"number_observations": 554391,
"number_observations_unique": 80430,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 11.27
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 6.89
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [42.04,4.82],
"number_observations": 21695,
"number_observations_unique": 3145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 42.45
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [42.04,3.41],
"number_observations": 38740,
"number_observations_unique": 5541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 40.13
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.99
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [42.04,2.79],
"number_observations": 49111,
"number_observations_unique": 7158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.06
},
{
"type": "I/SigI",
"value": 27.87
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.86
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [42.04,2.42],
"number_observations": 59046,
"number_observations_unique": 8404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 17.41
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.03
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [42.04,2.16],
"number_observations": 67776,
"number_observations_unique": 9531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.16
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 10.63
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.11
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [42.04,1.98],
"number_observations": 71375,
"number_observations_unique": 10519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.321
},
{
"type": "R(meas)",
"value": 0.348
},
{
"type": "I/SigI",
"value": 5.41
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.79
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [42.04,1.83],
"number_observations": 78461,
"number_observations_unique": 11422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.722
},
{
"type": "R(meas)",
"value": 0.782
},
{
"type": "I/SigI",
"value": 2.41
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.87
},
{
"type": "CC(1/2)",
"value": 0.884
}
]
},
{
"resolution_limits": [42.04,1.71],
"number_observations": 84425,
"number_observations_unique": 12291,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.568
},
{
"type": "R(meas)",
"value": 1.698
},
{
"type": "I/SigI",
"value": 1.07
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.87
},
{
"type": "CC(1/2)",
"value": 0.647
}
]
},
{
"resolution_limits": [42.04,1.61],
"number_observations": 83762,
"number_observations_unique": 12419,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.063
},
{
"type": "R(meas)",
"value": 3.319
},
{
"type": "I/SigI",
"value": 0.49
},
{
"type": "Completeness",
"value": 95.0
},
{
"type": "Redundancy",
"value": 6.74
},
{
"type": "CC(1/2)",
"value": 0.331
}
]
}
]
}