Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e2584c9f88956eb09c896481fcdb4107",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 65.45,
"b": 31.05,
"c": 69.80,
"alpha": 90.00,
"beta": 97.09,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.267,1.900],
"number_observations_unique": 22421,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 15.450
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 1652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.417
},
{
"type": "R(meas)",
"value": 0.489
},
{
"type": "I/SigI",
"value": 3.680
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.719
},
{
"type": "CC(1/2)",
"value": 0.868
}
]
},
{
"resolution_limits": [2.000,1.950],
"number_observations_unique": 1578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.333
},
{
"type": "R(meas)",
"value": 0.391
},
{
"type": "I/SigI",
"value": 4.630
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.707
},
{
"type": "CC(1/2)",
"value": 0.899
}
]
},
{
"resolution_limits": [2.060,2.000],
"number_observations_unique": 1577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "R(meas)",
"value": 0.314
},
{
"type": "I/SigI",
"value": 5.580
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.725
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [2.120,2.060],
"number_observations_unique": 1497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "I/SigI",
"value": 6.950
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.703
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
},
{
"resolution_limits": [2.190,2.120],
"number_observations_unique": 1473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 8.240
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.712
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [2.270,2.190],
"number_observations_unique": 1407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "I/SigI",
"value": 8.570
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.713
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [2.360,2.270],
"number_observations_unique": 1365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 10.110
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.735
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.450,2.360],
"number_observations_unique": 1312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 10.630
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.732
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.560,2.450],
"number_observations_unique": 1279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 12.810
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.728
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.690,2.560],
"number_observations_unique": 1206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 14.810
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.720
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.830,2.690],
"number_observations_unique": 1184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 16.850
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.726
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.000,2.830],
"number_observations_unique": 1083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 19.850
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.717
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.210,3.000],
"number_observations_unique": 1036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 23.140
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.727
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.470,3.210],
"number_observations_unique": 979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 27.670
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.717
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.800,3.470],
"number_observations_unique": 885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 32.980
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.681
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.250,3.800],
"number_observations_unique": 811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 35.770
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.665
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.910,4.250],
"number_observations_unique": 704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 39.420
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.655
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.010,4.910],
"number_observations_unique": 629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 34.440
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.614
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.500,6.010],
"number_observations_unique": 481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 35.030
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.522
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [69.267,8.500],
"number_observations_unique": 283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 38.030
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.191
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}