Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "47146eba3588169406f97af2b3b96212",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.132,
"b": 72.690,
"c": 52.603,
"alpha": 90.00,
"beta": 109.63,
"gamma": 90.00
},
"wavelengths": [0.89120],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.508,1.610],
"number_observations": 167920,
"number_observations_unique": 40942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 16.920
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.101
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.610],
"number_observations": 21789,
"number_observations_unique": 6168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.465
},
{
"type": "R(meas)",
"value": 0.543
},
{
"type": "I/SigI",
"value": 3.310
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "CC(1/2)",
"value": 0.780
}
]
},
{
"resolution_limits": [1.820,1.710],
"number_observations": 26169,
"number_observations_unique": 6282,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "R(meas)",
"value": 0.391
},
{
"type": "I/SigI",
"value": 5.110
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.896
}
]
},
{
"resolution_limits": [1.970,1.820],
"number_observations": 24441,
"number_observations_unique": 5839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "R(meas)",
"value": 0.244
},
{
"type": "I/SigI",
"value": 7.770
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [2.160,1.970],
"number_observations": 22678,
"number_observations_unique": 5378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 12.880
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.410,2.160],
"number_observations": 20537,
"number_observations_unique": 4881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 18.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.780,2.410],
"number_observations": 18342,
"number_observations_unique": 4315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 23.880
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.410,2.780],
"number_observations": 15560,
"number_observations_unique": 3647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 33.930
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.800,3.410],
"number_observations": 11926,
"number_observations_unique": 2842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 47.420
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [42.508,4.800],
"number_observations": 6478,
"number_observations_unique": 1590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 45.940
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}