Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "49c50defa19b10ce10c72d12344cea56",
"space_group_name": "P 32",
"unit_cell": {
"a": 68.272,
"b": 68.272,
"c": 55.786,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.050],
"number_observations_unique": 4231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 77.700
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
"refln_shells": [
{
"resolution_limits": [3.100,3.050],
"number_observations_unique": 135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.833
},
{
"type": "R(meas)",
"value": 0.892
},
{
"type": "R(pim)",
"value": 0.307
},
{
"type": "Completeness",
"value": 46.100
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.785
}
]
},
{
"resolution_limits": [3.160,3.100],
"number_observations_unique": 113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "Completeness",
"value": 46.300
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.220,3.160],
"number_observations_unique": 153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "Completeness",
"value": 56.700
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.290,3.220],
"number_observations_unique": 136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "Completeness",
"value": 52.300
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.360,3.290],
"number_observations_unique": 178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "R(meas)",
"value": 0.264
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "Completeness",
"value": 58.200
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.430,3.360],
"number_observations_unique": 145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.216
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "Completeness",
"value": 57.800
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.520,3.430],
"number_observations_unique": 174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "Completeness",
"value": 61.300
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.620,3.520],
"number_observations_unique": 186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "R(meas)",
"value": 0.266
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "Completeness",
"value": 70.500
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.720,3.620],
"number_observations_unique": 187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.395
},
{
"type": "R(meas)",
"value": 0.422
},
{
"type": "R(pim)",
"value": 0.144
},
{
"type": "Completeness",
"value": 70.800
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [3.840,3.720],
"number_observations_unique": 216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.431
},
{
"type": "R(meas)",
"value": 0.459
},
{
"type": "R(pim)",
"value": 0.152
},
{
"type": "Completeness",
"value": 75.300
},
{
"type": "Redundancy",
"value": 8.400
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [3.980,3.840],
"number_observations_unique": 226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.284
},
{
"type": "R(meas)",
"value": 0.302
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "Completeness",
"value": 81.300
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [4.140,3.980],
"number_observations_unique": 240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "R(meas)",
"value": 0.265
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 8.400
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [4.330,4.140],
"number_observations_unique": 248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "R(meas)",
"value": 0.285
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [4.560,4.330],
"number_observations_unique": 263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "R(meas)",
"value": 0.297
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [4.840,4.560],
"number_observations_unique": 278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "R(meas)",
"value": 0.239
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 8.700
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [5.210,4.840],
"number_observations_unique": 264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.740,5.210],
"number_observations_unique": 257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [6.570,5.740],
"number_observations_unique": 281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.270,6.570],
"number_observations_unique": 270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.000,8.270],
"number_observations_unique": 281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}