Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "61334a08ab4b57718f4d358b63fac67a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 178.360,
"b": 50.049,
"c": 82.506,
"alpha": 90.00,
"beta": 111.77,
"gamma": 90.00
},
"wavelengths": [1.00800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.610],
"number_observations": 624800,
"number_observations_unique": 86724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.610],
"number_observations_unique": 4277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.400
},
{
"type": "R(meas)",
"value": 0.431
},
{
"type": "R(pim)",
"value": 0.159
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [1.670,1.640],
"number_observations_unique": 4298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.356
},
{
"type": "R(meas)",
"value": 0.382
},
{
"type": "R(pim)",
"value": 0.139
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [1.700,1.670],
"number_observations_unique": 4273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "R(meas)",
"value": 0.324
},
{
"type": "R(pim)",
"value": 0.118
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [1.730,1.700],
"number_observations_unique": 4327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "R(meas)",
"value": 0.274
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [1.770,1.730],
"number_observations_unique": 4285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "R(meas)",
"value": 0.239
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [1.810,1.770],
"number_observations_unique": 4334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [1.860,1.810],
"number_observations_unique": 4319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [1.910,1.860],
"number_observations_unique": 4338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [1.970,1.910],
"number_observations_unique": 4350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.030,1.970],
"number_observations_unique": 4315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.100,2.030],
"number_observations_unique": 4361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.190,2.100],
"number_observations_unique": 4344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.280,2.190],
"number_observations_unique": 4363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.400,2.280],
"number_observations_unique": 4363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.560,2.400],
"number_observations_unique": 4384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.750,2.560],
"number_observations_unique": 4383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.030,2.750],
"number_observations_unique": 4378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.470,3.030],
"number_observations_unique": 4390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.370,3.470],
"number_observations_unique": 4376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.000,4.370],
"number_observations_unique": 4266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}