Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "586095b39b5a29c3941ca652441faf2d",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 76.443,
"b": 81.285,
"c": 43.219,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.686,2.279],
"number_observations_unique": 12861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.400,2.280],
"number_observations_unique": 1830,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.043
},
{
"type": "R(meas)",
"value": 1.106
},
{
"type": "R(pim)",
"value": 0.362
},
{
"type": "I/SigI",
"value": 1.77
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.700
}
]
},
{
"resolution_limits": [2.550,2.400],
"number_observations_unique": 1754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.764
},
{
"type": "R(meas)",
"value": 0.807
},
{
"type": "R(pim)",
"value": 0.257
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.600
}
]
},
{
"resolution_limits": [2.730,2.550],
"number_observations_unique": 1629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.545
},
{
"type": "R(meas)",
"value": 0.578
},
{
"type": "R(pim)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
{
"resolution_limits": [2.940,2.730],
"number_observations_unique": 1534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.315
},
{
"type": "R(meas)",
"value": 0.333
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
}
]
},
{
"resolution_limits": [3.220,2.940],
"number_observations_unique": 1408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.212
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
}
]
},
{
"resolution_limits": [3.600,3.220],
"number_observations_unique": 1305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
}
]
},
{
"resolution_limits": [4.160,3.600],
"number_observations_unique": 1144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
{
"resolution_limits": [5.100,4.160],
"number_observations_unique": 995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.200
}
]
},
{
"resolution_limits": [7.210,5.100],
"number_observations_unique": 786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.400
}
]
},
{
"resolution_limits": [76.443,7.210],
"number_observations_unique": 476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.000
}
]
}
]
}