Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "7da174bcdf1e2faa8543366e35367a46",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.464,
"b": 81.066,
"c": 100.709,
"alpha": 90.00,
"beta": 98.61,
"gamma": 90.00
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,1.95],
"number_observations": 308677,
"number_observations_unique": 50050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 4.7
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.02,1.95],
"number_observations_unique": 4985,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.854
},
{
"type": "R(meas)",
"value": 2.021
},
{
"type": "R(pim)",
"value": 0.792
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.573
}
]
},
{
"resolution_limits": [2.10,2.02],
"number_observations_unique": 4996,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.419
},
{
"type": "R(meas)",
"value": 1.548
},
{
"type": "R(pim)",
"value": 0.610
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.610
}
]
},
{
"resolution_limits": [2.20,2.10],
"number_observations_unique": 4971,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.006
},
{
"type": "R(meas)",
"value": 1.098
},
{
"type": "R(pim)",
"value": 0.433
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.805
}
]
},
{
"resolution_limits": [2.31,2.20],
"number_observations_unique": 4995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.727
},
{
"type": "R(meas)",
"value": 0.795
},
{
"type": "R(pim)",
"value": 0.317
},
{
"type": "Completeness",
"value": 98.2
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.881
}
]
},
{
"resolution_limits": [2.46,2.31],
"number_observations_unique": 4925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.536
},
{
"type": "R(meas)",
"value": 0.587
},
{
"type": "R(pim)",
"value": 0.237
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 5.9
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [2.65,2.46],
"number_observations_unique": 5020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.427
},
{
"type": "R(meas)",
"value": 0.463
},
{
"type": "R(pim)",
"value": 0.178
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
},
{
"resolution_limits": [2.91,2.65],
"number_observations_unique": 5042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "R(meas)",
"value": 0.328
},
{
"type": "R(pim)",
"value": 0.127
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [3.33,2.91],
"number_observations_unique": 4989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "R(meas)",
"value": 0.199
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "Completeness",
"value": 98.2
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [4.20,3.33],
"number_observations_unique": 4998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [50.00,4.20],
"number_observations_unique": 5129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}