Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0fd8eda969f15d721a42a65257f84b33",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.308,
"b": 41.379,
"c": 71.963,
"alpha": 90.00,
"beta": 104.35,
"gamma": 90.00
},
"wavelengths": [0.97974],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,1.250],
"number_observations": 180261,
"number_observations_unique": 63363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 11.860
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 2.845
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.250],
"number_observations_unique": 8141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.461
},
{
"type": "R(meas)",
"value": 0.578
},
{
"type": "I/SigI",
"value": 1.970
},
{
"type": "Completeness",
"value": 75.300
},
{
"type": "Redundancy",
"value": 2.322
},
{
"type": "CC(1/2)",
"value": 0.720
}
]
},
{
"resolution_limits": [1.410,1.320],
"number_observations_unique": 9838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.332
},
{
"type": "R(meas)",
"value": 0.406
},
{
"type": "I/SigI",
"value": 3.340
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 2.912
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [1.530,1.410],
"number_observations_unique": 9255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "R(meas)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 5.370
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 2.940
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [1.670,1.530],
"number_observations_unique": 8543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 8.420
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 2.944
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [1.870,1.670],
"number_observations_unique": 7796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 12.720
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 2.944
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.160,1.870],
"number_observations_unique": 6870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 18.770
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 2.929
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.640,2.160],
"number_observations_unique": 5865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 23.800
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 2.911
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.730,2.640],
"number_observations_unique": 4516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 28.890
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.866
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [30.000,3.730],
"number_observations_unique": 2539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 32.480
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 2.860
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}