Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "38a7a10226aa2ded8b19a9309986bbeb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 77.354,
"b": 104.787,
"c": 137.412,
"alpha": 90.00,
"beta": 100.29,
"gamma": 90.00
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.910],
"number_observations": 1109241,
"number_observations_unique": 166049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.910],
"number_observations_unique": 8210,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.202
},
{
"type": "R(meas)",
"value": 1.314
},
{
"type": "R(pim)",
"value": 0.526
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.642
}
]
},
{
"resolution_limits": [1.980,1.940],
"number_observations_unique": 8169,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.046
},
{
"type": "R(meas)",
"value": 1.133
},
{
"type": "R(pim)",
"value": 0.431
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.753
}
]
},
{
"resolution_limits": [2.020,1.980],
"number_observations_unique": 8248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.880
},
{
"type": "R(meas)",
"value": 0.952
},
{
"type": "R(pim)",
"value": 0.361
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.807
}
]
},
{
"resolution_limits": [2.060,2.020],
"number_observations_unique": 8235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.727
},
{
"type": "R(meas)",
"value": 0.787
},
{
"type": "R(pim)",
"value": 0.299
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.862
}
]
},
{
"resolution_limits": [2.100,2.060],
"number_observations_unique": 8225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.613
},
{
"type": "R(meas)",
"value": 0.667
},
{
"type": "R(pim)",
"value": 0.259
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.865
}
]
},
{
"resolution_limits": [2.150,2.100],
"number_observations_unique": 8210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.496
},
{
"type": "R(meas)",
"value": 0.538
},
{
"type": "R(pim)",
"value": 0.206
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [2.200,2.150],
"number_observations_unique": 8277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.419
},
{
"type": "R(meas)",
"value": 0.453
},
{
"type": "R(pim)",
"value": 0.171
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [2.260,2.200],
"number_observations_unique": 8296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.343
},
{
"type": "R(meas)",
"value": 0.372
},
{
"type": "R(pim)",
"value": 0.144
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [2.330,2.260],
"number_observations_unique": 8279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "R(meas)",
"value": 0.298
},
{
"type": "R(pim)",
"value": 0.111
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.410,2.330],
"number_observations_unique": 8266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "R(meas)",
"value": 0.267
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [2.490,2.410],
"number_observations_unique": 8305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "R(meas)",
"value": 0.210
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [2.590,2.490],
"number_observations_unique": 8280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.710,2.590],
"number_observations_unique": 8288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.850,2.710],
"number_observations_unique": 8350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.030,2.850],
"number_observations_unique": 8350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.270,3.030],
"number_observations_unique": 8327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.590,3.270],
"number_observations_unique": 8368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.110,3.590],
"number_observations_unique": 8393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.180,4.110],
"number_observations_unique": 8436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.000,5.180],
"number_observations_unique": 8537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}