Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8315ef6af7482aefee8a1988dd1140bb",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.722,
"b": 54.617,
"c": 81.350,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.42,1.120],
"number_observations": 511614,
"number_observations_unique": 84554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 13.090
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.05
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.150,1.120],
"number_observations": 24889,
"number_observations_unique": 5677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.835
},
{
"type": "R(meas)",
"value": 0.942
},
{
"type": "I/SigI",
"value": 1.630
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "CC(1/2)",
"value": 0.668
}
]
},
{
"resolution_limits": [1.180,1.150],
"number_observations": 36241,
"number_observations_unique": 6085,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.729
},
{
"type": "R(meas)",
"value": 0.800
},
{
"type": "I/SigI",
"value": 2.350
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.783
}
]
},
{
"resolution_limits": [1.220,1.180],
"number_observations": 34931,
"number_observations_unique": 5896,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.688
},
{
"type": "R(meas)",
"value": 0.755
},
{
"type": "I/SigI",
"value": 2.570
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.820
}
]
},
{
"resolution_limits": [1.250,1.220],
"number_observations": 32339,
"number_observations_unique": 5670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.676
},
{
"type": "R(meas)",
"value": 0.746
},
{
"type": "I/SigI",
"value": 2.920
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "CC(1/2)",
"value": 0.834
}
]
},
{
"resolution_limits": [1.300,1.250],
"number_observations": 34691,
"number_observations_unique": 5580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.526
},
{
"type": "R(meas)",
"value": 0.575
},
{
"type": "I/SigI",
"value": 3.840
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.893
}
]
},
{
"resolution_limits": [1.340,1.300],
"number_observations": 33215,
"number_observations_unique": 5386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.392
},
{
"type": "R(meas)",
"value": 0.429
},
{
"type": "I/SigI",
"value": 4.870
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [1.390,1.340],
"number_observations": 32477,
"number_observations_unique": 5194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.313
},
{
"type": "R(meas)",
"value": 0.341
},
{
"type": "I/SigI",
"value": 5.780
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [1.450,1.390],
"number_observations": 30783,
"number_observations_unique": 5018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "R(meas)",
"value": 0.281
},
{
"type": "I/SigI",
"value": 7.010
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [1.510,1.450],
"number_observations": 30954,
"number_observations_unique": 4820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "R(meas)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 8.990
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [1.590,1.510],
"number_observations": 30214,
"number_observations_unique": 4600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 12.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.670,1.590],
"number_observations": 28798,
"number_observations_unique": 4409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.770,1.670],
"number_observations": 25725,
"number_observations_unique": 4190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 17.220
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.900,1.770],
"number_observations": 26562,
"number_observations_unique": 3932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 22.260
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.050,1.900],
"number_observations": 21589,
"number_observations_unique": 3627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 25.690
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.240,2.050],
"number_observations": 21104,
"number_observations_unique": 3389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 30.640
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.510,2.240],
"number_observations": 17161,
"number_observations_unique": 3071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 32.080
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.900,2.510],
"number_observations": 18285,
"number_observations_unique": 2736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 37.780
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.550,2.900],
"number_observations": 14904,
"number_observations_unique": 2351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 40.760
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.020,3.550],
"number_observations": 9941,
"number_observations_unique": 1833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 39.980
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [42.42,5.020],
"number_observations": 6811,
"number_observations_unique": 1090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 42.390
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}