Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "15e9c8e19e1e2ed464782ee90a4ef7d6",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 50.699,
"b": 68.738,
"c": 116.881,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96546],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.800,1.310],
"number_observations": 196430,
"number_observations_unique": 32949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05205
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 2.150
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.310],
"number_observations": 30874,
"number_observations_unique": 14785,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.408
},
{
"type": "R(meas)",
"value": 2.752
},
{
"type": "I/SigI",
"value": 0.370
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 2.088
},
{
"type": "CC(1/2)",
"value": 0.141
}
]
},
{
"resolution_limits": [1.480,1.390],
"number_observations": 28116,
"number_observations_unique": 13993,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.155
},
{
"type": "R(meas)",
"value": 1.514
},
{
"type": "I/SigI",
"value": 0.640
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 2.009
},
{
"type": "CC(1/2)",
"value": 0.331
}
]
},
{
"resolution_limits": [1.600,1.480],
"number_observations": 29227,
"number_observations_unique": 13095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.589
},
{
"type": "R(meas)",
"value": 0.758
},
{
"type": "I/SigI",
"value": 1.420
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 2.232
},
{
"type": "CC(1/2)",
"value": 0.634
}
]
},
{
"resolution_limits": [1.760,1.600],
"number_observations": 26491,
"number_observations_unique": 11931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "R(meas)",
"value": 0.385
},
{
"type": "I/SigI",
"value": 2.780
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 2.220
},
{
"type": "CC(1/2)",
"value": 0.870
}
]
},
{
"resolution_limits": [1.960,1.760],
"number_observations": 22091,
"number_observations_unique": 10630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "I/SigI",
"value": 5.390
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 2.078
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [2.270,1.960],
"number_observations": 21078,
"number_observations_unique": 9627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 2.189
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.770,2.270],
"number_observations": 18147,
"number_observations_unique": 8039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 21.430
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 2.257
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.910,2.770],
"number_observations": 12422,
"number_observations_unique": 5861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 32.900
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "Redundancy",
"value": 2.119
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [40.800,3.910],
"number_observations": 7984,
"number_observations_unique": 3384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 43.860
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 2.359
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}