Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3aad64ca3040c1ab16da3ac942ce76fc",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.744,
"b": 88.744,
"c": 39.433,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.690,1.000],
"number_observations": 1046911,
"number_observations_unique": 164763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 21.310
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.354
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.060,1.000],
"number_observations": 146440,
"number_observations_unique": 25813,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.023
},
{
"type": "R(meas)",
"value": 1.126
},
{
"type": "I/SigI",
"value": 1.580
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 5.673
},
{
"type": "CC(1/2)",
"value": 0.813
}
]
},
{
"resolution_limits": [1.130,1.060],
"number_observations": 158076,
"number_observations_unique": 25033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.534
},
{
"type": "R(meas)",
"value": 0.582
},
{
"type": "I/SigI",
"value": 3.470
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.315
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [1.220,1.130],
"number_observations": 154191,
"number_observations_unique": 23358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "R(meas)",
"value": 0.309
},
{
"type": "I/SigI",
"value": 6.370
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.601
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [1.340,1.220],
"number_observations": 136350,
"number_observations_unique": 21456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(meas)",
"value": 0.196
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.355
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.500,1.340],
"number_observations": 132452,
"number_observations_unique": 19530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 16.780
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.782
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.730,1.500],
"number_observations": 112432,
"number_observations_unique": 17217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 30.560
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.530
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.120,1.730],
"number_observations": 94688,
"number_observations_unique": 14607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 52.210
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.482
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.990,2.120],
"number_observations": 71146,
"number_observations_unique": 11335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 74.020
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.277
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [39.690,2.990],
"number_observations": 41136,
"number_observations_unique": 6414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 88.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.413
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}