Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2b4cf21c09a86e329138c3f12f5a80d9",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 114.996,
"b": 122.285,
"c": 121.099,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.621,1.540],
"number_observations": 765186,
"number_observations_unique": 123312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 17.750
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.205
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.540],
"number_observations": 78538,
"number_observations_unique": 18027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.545
},
{
"type": "R(meas)",
"value": 0.618
},
{
"type": "I/SigI",
"value": 2.260
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 4.357
},
{
"type": "CC(1/2)",
"value": 0.794
}
]
},
{
"resolution_limits": [1.750,1.630],
"number_observations": 117561,
"number_observations_unique": 18937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.366
},
{
"type": "R(meas)",
"value": 0.400
},
{
"type": "I/SigI",
"value": 4.390
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.208
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
{
"resolution_limits": [1.890,1.750],
"number_observations": 118636,
"number_observations_unique": 17645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "R(meas)",
"value": 0.227
},
{
"type": "I/SigI",
"value": 8.390
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.723
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.070,1.890],
"number_observations": 102570,
"number_observations_unique": 16224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 13.530
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.322
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.310,2.070],
"number_observations": 99989,
"number_observations_unique": 14736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 21.430
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.785
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.670,2.310],
"number_observations": 86161,
"number_observations_unique": 13034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 27.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.610
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.260,2.670],
"number_observations": 70747,
"number_observations_unique": 11090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 35.420
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.379
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.600,3.260],
"number_observations": 58838,
"number_observations_unique": 8660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 46.230
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.794
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [36.621,4.600],
"number_observations": 32146,
"number_observations_unique": 4959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 47.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.482
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}