Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1d3dc60a268a9e0e3b19995a2db02dbf",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.81,
"b": 50.90,
"c": 57.83,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.862,1.300],
"number_observations_unique": 28353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 33.160
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.913
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.330,1.300],
"number_observations_unique": 1874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "R(meas)",
"value": 0.263
},
{
"type": "I/SigI",
"value": 6.420
},
{
"type": "Completeness",
"value": 88.700
},
{
"type": "Redundancy",
"value": 4.120
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [1.370,1.330],
"number_observations_unique": 2015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "R(meas)",
"value": 0.222
},
{
"type": "I/SigI",
"value": 9.660
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 7.069
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [1.410,1.370],
"number_observations_unique": 1944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 12.180
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 7.254
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.450,1.410],
"number_observations_unique": 1911,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 14.010
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 7.266
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.500,1.450],
"number_observations_unique": 1832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 18.110
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 7.281
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.550,1.500],
"number_observations_unique": 1791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 21.190
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 7.268
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.610,1.550],
"number_observations_unique": 1746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 25.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.239
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.680,1.610],
"number_observations_unique": 1683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 29.750
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.246
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.750,1.680],
"number_observations_unique": 1623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 32.880
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.236
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.840,1.750],
"number_observations_unique": 1552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 38.210
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.211
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.940,1.840],
"number_observations_unique": 1473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 43.870
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.208
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.060,1.940],
"number_observations_unique": 1410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 49.420
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.142
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.200,2.060],
"number_observations_unique": 1315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 53.810
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.084
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.370,2.200],
"number_observations_unique": 1246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 56.650
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.983
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.600,2.370],
"number_observations_unique": 1153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 59.330
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.989
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.910,2.600],
"number_observations_unique": 1044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 61.280
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.962
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.360,2.910],
"number_observations_unique": 931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 62.760
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.834
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.110,3.360],
"number_observations_unique": 800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 64.390
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.719
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.810,4.110],
"number_observations_unique": 638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 63.780
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.397
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [30.862,5.810],
"number_observations_unique": 372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 59.220
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.605
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}