Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0f8c42e63b7a77964e3a42928cc82218",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 89.928,
"b": 81.316,
"c": 93.313,
"alpha": 90.00,
"beta": 109.04,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.37,1.57],
"number_observations": 601391,
"number_observations_unique": 88938,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 11.37
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 6.76
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [44.37,4.67],
"number_observations": 23292,
"number_observations_unique": 3437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 40.02
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 6.78
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.37,3.31],
"number_observations": 40990,
"number_observations_unique": 6160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 37.28
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.65
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.37,2.71],
"number_observations": 51518,
"number_observations_unique": 7886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 27.11
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.53
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [44.37,2.34],
"number_observations": 63461,
"number_observations_unique": 9287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 18.83
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.83
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [44.37,2.10],
"number_observations": 72498,
"number_observations_unique": 10522,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 11.90
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.89
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [44.37,1.91],
"number_observations": 78400,
"number_observations_unique": 11658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.312
},
{
"type": "R(meas)",
"value": 0.338
},
{
"type": "I/SigI",
"value": 6.14
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.72
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [44.37,1.77],
"number_observations": 86108,
"number_observations_unique": 12648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.741
},
{
"type": "R(meas)",
"value": 0.803
},
{
"type": "I/SigI",
"value": 2.68
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.81
},
{
"type": "CC(1/2)",
"value": 0.909
}
]
},
{
"resolution_limits": [44.37,1.66],
"number_observations": 92963,
"number_observations_unique": 13536,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.563
},
{
"type": "R(meas)",
"value": 1.693
},
{
"type": "I/SigI",
"value": 1.25
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.87
},
{
"type": "CC(1/2)",
"value": 0.67
}
]
},
{
"resolution_limits": [44.37,1.56],
"number_observations": 92161,
"number_observations_unique": 13804,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.068
},
{
"type": "R(meas)",
"value": 3.328
},
{
"type": "I/SigI",
"value": 0.57
},
{
"type": "Completeness",
"value": 95.7
},
{
"type": "Redundancy",
"value": 6.68
},
{
"type": "CC(1/2)",
"value": 0.316
}
]
}
]
}