Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5047ecf3cb76f4089e94ac8a03ae416e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 179.137,
"b": 55.209,
"c": 149.470,
"alpha": 90.00,
"beta": 124.33,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [123.436,2.586],
"number_observations_unique": 37905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
"refln_shells": [
{
"resolution_limits": [2.730,2.590],
"number_observations": 31502,
"number_observations_unique": 5275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.627
},
{
"type": "R(meas)",
"value": 0.687
},
{
"type": "R(pim)",
"value": 0.276
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [2.890,2.730],
"number_observations": 33101,
"number_observations_unique": 5258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.496
},
{
"type": "R(meas)",
"value": 0.542
},
{
"type": "R(pim)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [3.090,2.890],
"number_observations": 31118,
"number_observations_unique": 4931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.347
},
{
"type": "R(meas)",
"value": 0.378
},
{
"type": "R(pim)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [3.340,3.090],
"number_observations": 29020,
"number_observations_unique": 4596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "R(meas)",
"value": 0.273
},
{
"type": "R(pim)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [3.660,3.340],
"number_observations": 26842,
"number_observations_unique": 4226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [4.090,3.660],
"number_observations": 24463,
"number_observations_unique": 3854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [4.720,4.090],
"number_observations": 21623,
"number_observations_unique": 3409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [5.780,4.720],
"number_observations": 18360,
"number_observations_unique": 2896,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [8.180,5.780],
"number_observations": 14279,
"number_observations_unique": 2272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [19.737,8.180],
"number_observations": 7200,
"number_observations_unique": 1188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 6.100
}
]
}
]
}