Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0e8037e3fd541fdb2664aae537dbc19b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 102.13,
"b": 41.04,
"c": 47.02,
"alpha": 90.00,
"beta": 93.64,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.920,1.300],
"number_observations": 320911,
"number_observations_unique": 46424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 17.300
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 6.913
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.330,1.300],
"number_observations": 21802,
"number_observations_unique": 3181,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.714
},
{
"type": "R(meas)",
"value": 1.854
},
{
"type": "I/SigI",
"value": 1.290
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 6.854
},
{
"type": "CC(1/2)",
"value": 0.704
}
]
},
{
"resolution_limits": [1.370,1.330],
"number_observations": 23484,
"number_observations_unique": 3281,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.373
},
{
"type": "R(meas)",
"value": 1.479
},
{
"type": "I/SigI",
"value": 1.710
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 7.158
},
{
"type": "CC(1/2)",
"value": 0.774
}
]
},
{
"resolution_limits": [1.410,1.370],
"number_observations": 23106,
"number_observations_unique": 3227,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.061
},
{
"type": "R(meas)",
"value": 1.142
},
{
"type": "I/SigI",
"value": 2.230
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 7.160
},
{
"type": "CC(1/2)",
"value": 0.853
}
]
},
{
"resolution_limits": [1.450,1.410],
"number_observations": 22258,
"number_observations_unique": 3134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.865
},
{
"type": "R(meas)",
"value": 0.932
},
{
"type": "I/SigI",
"value": 2.720
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 7.102
},
{
"type": "CC(1/2)",
"value": 0.895
}
]
},
{
"resolution_limits": [1.500,1.450],
"number_observations": 21125,
"number_observations_unique": 3022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.583
},
{
"type": "R(meas)",
"value": 0.630
},
{
"type": "I/SigI",
"value": 3.930
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 6.990
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [1.550,1.500],
"number_observations": 19983,
"number_observations_unique": 2953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.447
},
{
"type": "R(meas)",
"value": 0.484
},
{
"type": "I/SigI",
"value": 4.840
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 6.767
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [1.610,1.550],
"number_observations": 18443,
"number_observations_unique": 2753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "R(meas)",
"value": 0.327
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 6.699
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [1.680,1.610],
"number_observations": 20017,
"number_observations_unique": 2774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "R(meas)",
"value": 0.267
},
{
"type": "I/SigI",
"value": 8.150
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 7.216
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [1.750,1.680],
"number_observations": 19141,
"number_observations_unique": 2660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 10.130
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 7.196
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [1.840,1.750],
"number_observations": 18126,
"number_observations_unique": 2548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 12.860
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 7.114
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.940,1.840],
"number_observations": 17049,
"number_observations_unique": 2441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 17.100
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.984
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.060,1.940],
"number_observations": 15693,
"number_observations_unique": 2322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 22.130
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.758
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.200,2.060],
"number_observations": 13226,
"number_observations_unique": 2123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 27.830
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 6.230
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.370,2.200],
"number_observations": 14110,
"number_observations_unique": 2034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 36.240
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.937
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.600,2.370],
"number_observations": 13397,
"number_observations_unique": 1898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 41.620
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.058
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.910,2.600],
"number_observations": 11646,
"number_observations_unique": 1703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 47.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.839
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.360,2.910],
"number_observations": 10204,
"number_observations_unique": 1529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 53.990
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.674
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.110,3.360],
"number_observations": 7621,
"number_observations_unique": 1273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 60.780
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.987
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.810,4.110],
"number_observations": 6727,
"number_observations_unique": 997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 67.140
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.747
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [46.920,5.810],
"number_observations": 3753,
"number_observations_unique": 571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 67.220
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.573
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}