Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f3ec5cb0ce07c67afc1250220fbb9a0b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 89.486,
"b": 81.693,
"c": 93.229,
"alpha": 90.00,
"beta": 108.43,
"gamma": 90.00
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.480,1.51],
"number_observations": 690963,
"number_observations_unique": 94785,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 12.850
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.918
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.60,1.51],
"number_observations": 107508,
"number_observations_unique": 16185,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.033
},
{
"type": "R(meas)",
"value": 3.286
},
{
"type": "I/SigI",
"value": 0.52
},
{
"type": "Completeness",
"value": 0.978
},
{
"type": "Redundancy",
"value": 6.64
},
{
"type": "CC(1/2)",
"value": 0.270
}
]
},
{
"resolution_limits": [1.71,1.60],
"number_observations": 104678,
"number_observations_unique": 15115,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.582
},
{
"type": "R(meas)",
"value": 1.711
},
{
"type": "I/SigI",
"value": 1.09
},
{
"type": "Completeness",
"value": 1.000
},
{
"type": "Redundancy",
"value": 6.93
},
{
"type": "CC(1/2)",
"value": 0.563
}
]
},
{
"resolution_limits": [1.85,1.71],
"number_observations": 97461,
"number_observations_unique": 14180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.756
},
{
"type": "R(meas)",
"value": 0.819
},
{
"type": "I/SigI",
"value": 2.34
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.87
},
{
"type": "CC(1/2)",
"value": 0.857
}
]
},
{
"resolution_limits": [2.02,1.85],
"number_observations": 89568,
"number_observations_unique": 13041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "R(meas)",
"value": 0.340
},
{
"type": "I/SigI",
"value": 5.35
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.87
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.26,2.02],
"number_observations": 80771,
"number_observations_unique": 11771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 11.35
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.86
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.61,2.26],
"number_observations": 74263,
"number_observations_unique": 10436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 20.22
},
{
"type": "Completeness",
"value": 1.000
},
{
"type": "Redundancy",
"value": 7.12
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.19,2.61],
"number_observations": 61769,
"number_observations_unique": 8856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 31.75
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.97
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.50,3.19],
"number_observations": 47869,
"number_observations_unique": 6841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 47.78
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 7.00
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.00,4.50],
"number_observations": 27076,
"number_observations_unique": 3883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 52.87
},
{
"type": "Completeness",
"value": 0.994
},
{
"type": "Redundancy",
"value": 6.97
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}