Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8768affc080e0c02bed84f841fcfa897",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.360,
"b": 73.018,
"c": 52.808,
"alpha": 90.00,
"beta": 109.18,
"gamma": 90.00
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.550,1.11],
"number_observations_unique": 128552,
"quality_factors": [
{
"type": "I/SigI",
"value": 8.590
},
{
"type": "Completeness",
"value": 99.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.17,1.11],
"number_observations": 133195,
"number_observations_unique": 20895,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.818
},
{
"type": "R(meas)",
"value": 1.972
},
{
"type": "I/SigI",
"value": 0.93
},
{
"type": "Completeness",
"value": 0.969
},
{
"type": "Redundancy",
"value": 6.37
},
{
"type": "CC(1/2)",
"value": 0.384
}
]
},
{
"resolution_limits": [1.25,1.17],
"number_observations": 132992,
"number_observations_unique": 19618,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.088
},
{
"type": "R(meas)",
"value": 1.179
},
{
"type": "I/SigI",
"value": 1.67
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.78
},
{
"type": "CC(1/2)",
"value": 0.675
}
]
},
{
"resolution_limits": [1.35,1.25],
"number_observations": 124897,
"number_observations_unique": 18290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.621
},
{
"type": "R(meas)",
"value": 0.673
},
{
"type": "I/SigI",
"value": 2.97
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.83
},
{
"type": "CC(1/2)",
"value": 0.868
}
]
},
{
"resolution_limits": [1.48,1.35],
"number_observations": 114903,
"number_observations_unique": 16798,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.306
},
{
"type": "R(meas)",
"value": 0.331
},
{
"type": "I/SigI",
"value": 5.67
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.84
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [1.66,1.48],
"number_observations": 104367,
"number_observations_unique": 15232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 9.54
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.85
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [1.91,1.66],
"number_observations": 93757,
"number_observations_unique": 13467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 14.75
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 6.96
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.34,1.91],
"number_observations": 80157,
"number_observations_unique": 11386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 20.44
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 7.04
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.31,2.34],
"number_observations": 61032,
"number_observations_unique": 8850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 23.12
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.90
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [50.00,3.31],
"number_observations": 33269,
"number_observations_unique": 4936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 25.15
},
{
"type": "Completeness",
"value": 0.995
},
{
"type": "Redundancy",
"value": 6.74
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}