Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a692a824f4474753ee2cee78471f14a6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.220,
"b": 73.108,
"c": 52.837,
"alpha": 90.0,
"beta": 109.3,
"gamma": 90.0
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.678,1.250],
"number_observations": 333069,
"number_observations_unique": 89600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 14.720
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.717
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.250],
"number_observations": 52121,
"number_observations_unique": 14172,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.494
},
{
"type": "R(meas)",
"value": 0.578
},
{
"type": "I/SigI",
"value": 2.280
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "CC(1/2)",
"value": 0.770
}
]
},
{
"resolution_limits": [1.410,1.320],
"number_observations": 48147,
"number_observations_unique": 13597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "R(meas)",
"value": 0.413
},
{
"type": "I/SigI",
"value": 3.170
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.867
}
]
},
{
"resolution_limits": [1.530,1.410],
"number_observations": 48493,
"number_observations_unique": 12704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "R(meas)",
"value": 0.261
},
{
"type": "I/SigI",
"value": 5.140
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.944
}
]
},
{
"resolution_limits": [1.670,1.530],
"number_observations": 44126,
"number_observations_unique": 11707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 8.020
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [1.870,1.670],
"number_observations": 39274,
"number_observations_unique": 10570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.160,1.870],
"number_observations": 36407,
"number_observations_unique": 9379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 23.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.640,2.160],
"number_observations": 28350,
"number_observations_unique": 7894,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 30.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.730,2.640],
"number_observations": 23534,
"number_observations_unique": 6140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 46.020
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [42.678,3.730],
"number_observations": 12617,
"number_observations_unique": 3437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 57.920
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}