Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "308527c428fa7c2174005cfaf4b63af9",
"space_group_name": "P 1",
"unit_cell": {
"a": 53.774,
"b": 65.958,
"c": 67.760,
"alpha": 62.87,
"beta": 82.93,
"gamma": 84.11
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.189,1.59],
"number_observations_unique": 99426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 17.770
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 2.807
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.59],
"number_observations_unique": 10110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.333
},
{
"type": "R(meas)",
"value": 0.458
},
{
"type": "I/SigI",
"value": 2.030
},
{
"type": "Completeness",
"value": 54.300
},
{
"type": "Redundancy",
"value": 1.361
}
]
},
{
"resolution_limits": [1.790,1.690],
"number_observations_unique": 12994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(meas)",
"value": 0.315
},
{
"type": "I/SigI",
"value": 3.420
},
{
"type": "Completeness",
"value": 88.200
},
{
"type": "Redundancy",
"value": 1.998
}
]
},
{
"resolution_limits": [1.890,1.790],
"number_observations_unique": 10866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 2.088
}
]
},
{
"resolution_limits": [1.990,1.890],
"number_observations_unique": 9091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 8.270
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 2.166
}
]
},
{
"resolution_limits": [2.490,1.990],
"number_observations_unique": 27576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 15.260
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 2.623
}
]
},
{
"resolution_limits": [2.990,2.490],
"number_observations_unique": 12211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 28.540
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.837
}
]
},
{
"resolution_limits": [3.490,2.990],
"number_observations_unique": 6169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 42.420
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.735
}
]
},
{
"resolution_limits": [3.990,3.490],
"number_observations_unique": 3466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 49.520
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [4.490,3.990],
"number_observations_unique": 2090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 53.690
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.723
}
]
},
{
"resolution_limits": [10.000,4.490],
"number_observations_unique": 4446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 51.960
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.636
}
]
},
{
"resolution_limits": [20.000,10.000],
"number_observations_unique": 370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 55.000
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 4.468
}
]
},
{
"resolution_limits": [30.000,20.000],
"number_observations_unique": 37,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 54.890
},
{
"type": "Completeness",
"value": 86.000
},
{
"type": "Redundancy",
"value": 4.243
}
]
},
{
"resolution_limits": [30.000,27.189],
"quality_factors": [
]
}
]
}