Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1d4d68da761fe02bfcc29d8bbc3fd496",
"space_group_name": "F 2 2 2",
"unit_cell": {
"a": 76.26,
"b": 173.59,
"c": 331.54,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.612,1.500],
"number_observations": 831405,
"number_observations_unique": 144112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 17.360
},
{
"type": "Completeness",
"value": 82.600
},
{
"type": "Redundancy",
"value": 5.769
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.500],
"number_observations": 40226,
"number_observations_unique": 11931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.554
},
{
"type": "R(meas)",
"value": 0.648
},
{
"type": "I/SigI",
"value": 2.130
},
{
"type": "Completeness",
"value": 39.200
},
{
"type": "Redundancy",
"value": 3.372
},
{
"type": "CC(1/2)",
"value": 0.839
}
]
},
{
"resolution_limits": [1.800,1.600],
"number_observations": 138447,
"number_observations_unique": 30918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.315
},
{
"type": "R(meas)",
"value": 0.355
},
{
"type": "I/SigI",
"value": 4.390
},
{
"type": "Completeness",
"value": 72.700
},
{
"type": "Redundancy",
"value": 4.478
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
{
"resolution_limits": [2.200,1.800],
"number_observations": 283435,
"number_observations_unique": 45385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 11.640
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.245
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.800,2.200],
"number_observations": 189252,
"number_observations_unique": 28536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 25.380
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.632
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.600,2.800],
"number_observations": 95191,
"number_observations_unique": 14327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 35.910
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.644
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.600,3.600],
"number_observations": 44460,
"number_observations_unique": 6681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 43.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.655
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.900,4.600],
"number_observations": 21179,
"number_observations_unique": 3286,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 43.960
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.445
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.000,5.900],
"number_observations": 11684,
"number_observations_unique": 1795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 44.440
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.509
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [12.000,8.000],
"number_observations": 5092,
"number_observations_unique": 862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 46.310
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.907
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [46.612,12.000],
"number_observations": 2439,
"number_observations_unique": 391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 48.020
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.238
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}