Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c95c667b623bd7988190084e8c1aec1f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.252,
"b": 73.004,
"c": 52.749,
"alpha": 90.00,
"beta": 109.42,
"gamma": 90.00
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.677,1.220],
"number_observations": 392915,
"number_observations_unique": 94816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 17.880
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.143
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.290,1.220],
"number_observations": 59867,
"number_observations_unique": 15067,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.625
},
{
"type": "R(meas)",
"value": 0.718
},
{
"type": "I/SigI",
"value": 2.180
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "CC(1/2)",
"value": 0.737
}
]
},
{
"resolution_limits": [1.380,1.290],
"number_observations": 58382,
"number_observations_unique": 14259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.430
},
{
"type": "R(meas)",
"value": 0.493
},
{
"type": "I/SigI",
"value": 3.190
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "CC(1/2)",
"value": 0.858
}
]
},
{
"resolution_limits": [1.490,1.380],
"number_observations": 55636,
"number_observations_unique": 13323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "R(meas)",
"value": 0.308
},
{
"type": "I/SigI",
"value": 5.170
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [1.640,1.490],
"number_observations": 51681,
"number_observations_unique": 12329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "I/SigI",
"value": 8.640
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [1.830,1.640],
"number_observations": 47262,
"number_observations_unique": 11247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 14.690
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.110,1.830],
"number_observations": 41886,
"number_observations_unique": 9960,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 28.080
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.580,2.110],
"number_observations": 35377,
"number_observations_unique": 8428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 41.730
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.650,2.580],
"number_observations": 27663,
"number_observations_unique": 6553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 57.550
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [42.677,3.650],
"number_observations": 15161,
"number_observations_unique": 3650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.014
},
{
"type": "R(meas)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 73.390
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}