Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "61c22780420e7d0e090df96fb4f669f7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.579,
"b": 73.512,
"c": 53.344,
"alpha": 90.00,
"beta": 109.93,
"gamma": 90.00
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.849,1.770],
"number_observations": 134985,
"number_observations_unique": 32283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 15.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.181
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.770],
"number_observations": 21412,
"number_observations_unique": 5137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.512
},
{
"type": "R(meas)",
"value": 0.589
},
{
"type": "I/SigI",
"value": 2.770
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "CC(1/2)",
"value": 0.824
}
]
},
{
"resolution_limits": [2.010,1.880],
"number_observations": 20293,
"number_observations_unique": 4896,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.306
},
{
"type": "R(meas)",
"value": 0.353
},
{
"type": "I/SigI",
"value": 4.890
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
{
"resolution_limits": [2.170,2.010],
"number_observations": 19227,
"number_observations_unique": 4573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "I/SigI",
"value": 8.080
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.370,2.170],
"number_observations": 17235,
"number_observations_unique": 4163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 10.880
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.650,2.370],
"number_observations": 16132,
"number_observations_unique": 3812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 14.620
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.060,2.650],
"number_observations": 14233,
"number_observations_unique": 3363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 22.430
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.740,3.060],
"number_observations": 11975,
"number_observations_unique": 2854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 34.910
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.270,3.740],
"number_observations": 9288,
"number_observations_unique": 2222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 45.640
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [42.849,5.270],
"number_observations": 5190,
"number_observations_unique": 1263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 47.920
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}