Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "77551d33dbe0523ff12e3f8d277b7d48",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.632,
"b": 81.786,
"c": 81.258,
"alpha": 90.00,
"beta": 99.83,
"gamma": 90.00
},
"wavelengths": [0.97931],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.064,1.540],
"number_observations": 281950,
"number_observations_unique": 83290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.540],
"number_observations": 30791,
"number_observations_unique": 10329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.492
},
{
"type": "R(meas)",
"value": 0.602
},
{
"type": "R(pim)",
"value": 0.341
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 81.800
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [1.720,1.620],
"number_observations": 41425,
"number_observations_unique": 11878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "R(meas)",
"value": 0.400
},
{
"type": "R(pim)",
"value": 0.214
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.840,1.720],
"number_observations": 37364,
"number_observations_unique": 11013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "R(pim)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.990,1.840],
"number_observations": 36205,
"number_observations_unique": 10361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.180,1.990],
"number_observations": 32741,
"number_observations_unique": 9517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.430,2.180],
"number_observations": 29117,
"number_observations_unique": 8486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.810,2.430],
"number_observations": 26271,
"number_observations_unique": 7620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [3.440,2.810],
"number_observations": 21966,
"number_observations_unique": 6377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [4.870,3.440],
"number_observations": 16690,
"number_observations_unique": 4948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 21.500
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [44.962,4.870],
"number_observations": 9380,
"number_observations_unique": 2761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 20.700
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.400
}
]
}
]
}