Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "06047cef3b5bf9fc232718bc6d1cf268",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.753,
"b": 88.753,
"c": 39.576,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88572],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.690,1.050],
"number_observations": 922892,
"number_observations_unique": 142370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 18.970
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.482
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.120,1.050],
"number_observations": 143483,
"number_observations_unique": 22761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.551
},
{
"type": "R(meas)",
"value": 0.601
},
{
"type": "I/SigI",
"value": 2.770
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.304
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [1.190,1.120],
"number_observations": 139042,
"number_observations_unique": 21586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.312
},
{
"type": "R(meas)",
"value": 0.340
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.441
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [1.290,1.190],
"number_observations": 130531,
"number_observations_unique": 20138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.213
},
{
"type": "I/SigI",
"value": 7.630
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.482
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.410,1.290],
"number_observations": 122581,
"number_observations_unique": 18526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 11.410
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.617
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.580,1.410],
"number_observations": 111234,
"number_observations_unique": 16786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 18.720
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.627
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.820,1.580],
"number_observations": 98368,
"number_observations_unique": 14811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 30.260
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.642
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.230,1.820],
"number_observations": 79728,
"number_observations_unique": 12521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 43.950
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.368
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.150,2.230],
"number_observations": 63022,
"number_observations_unique": 9752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 54.420
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.462
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [39.690,3.150],
"number_observations": 34903,
"number_observations_unique": 5489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 59.410
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.359
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}