Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ed0700cd8ce6b971b5049aa66b42af04",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 57.041,
"b": 57.041,
"c": 83.395,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99996],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.33,1.120],
"number_observations": 641514,
"number_observations_unique": 52891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 37.880
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.140
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.150,1.120],
"number_observations": 30808,
"number_observations_unique": 3644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "R(meas)",
"value": 0.299
},
{
"type": "I/SigI",
"value": 6.350
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 8.454
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [1.180,1.150],
"number_observations": 44238,
"number_observations_unique": 3753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "R(meas)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 9.340
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.787
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [1.220,1.180],
"number_observations": 43062,
"number_observations_unique": 3696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "R(meas)",
"value": 0.217
},
{
"type": "I/SigI",
"value": 10.560
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.651
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [1.260,1.220],
"number_observations": 40613,
"number_observations_unique": 3529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 12.120
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.508
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.300,1.260],
"number_observations": 43401,
"number_observations_unique": 3474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 14.810
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.493
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.340,1.300],
"number_observations": 42039,
"number_observations_unique": 3344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 18.290
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.571
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.390,1.340],
"number_observations": 39999,
"number_observations_unique": 3237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 21.440
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.357
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.450,1.390],
"number_observations": 38243,
"number_observations_unique": 3124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 25.960
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.242
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.520,1.450],
"number_observations": 39433,
"number_observations_unique": 2984,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 33.480
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.215
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.590,1.520],
"number_observations": 37877,
"number_observations_unique": 2889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 42.230
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.111
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.680,1.590],
"number_observations": 35286,
"number_observations_unique": 2743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 49.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.864
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.780,1.680],
"number_observations": 31131,
"number_observations_unique": 2594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 56.310
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.001
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [1.900,1.780],
"number_observations": 33142,
"number_observations_unique": 2452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 71.560
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.516
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [2.050,1.900],
"number_observations": 30314,
"number_observations_unique": 2294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 85.220
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.214
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [2.250,2.050],
"number_observations": 27158,
"number_observations_unique": 2120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 91.840
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.810
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [2.510,2.250],
"number_observations": 22455,
"number_observations_unique": 1929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 93.330
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.641
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [2.900,2.510],
"number_observations": 22609,
"number_observations_unique": 1728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 104.550
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.084
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [3.550,2.900],
"number_observations": 18633,
"number_observations_unique": 1478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 109.930
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.607
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.030,3.550],
"number_observations": 12952,
"number_observations_unique": 1180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 107.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.976
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [40.330,5.030],
"number_observations": 8121,
"number_observations_unique": 716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 106.290
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 11.342
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}