Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "577426b90c67e15c2123bccc24346961",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 78.391,
"b": 85.137,
"c": 131.806,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97954],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.5200,1.900],
"number_observations": 982181,
"number_observations_unique": 69512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 14.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.900],
"number_observations_unique": 3407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.858
},
{
"type": "R(meas)",
"value": 0.888
},
{
"type": "R(pim)",
"value": 0.269
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 14.900
},
{
"type": "CC(1/2)",
"value": 0.825
}
]
},
{
"resolution_limits": [1.970,1.930],
"number_observations_unique": 3414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.736
},
{
"type": "R(meas)",
"value": 0.762
},
{
"type": "R(pim)",
"value": 0.227
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 14.900
},
{
"type": "CC(1/2)",
"value": 0.879
}
]
},
{
"resolution_limits": [2.010,1.970],
"number_observations_unique": 3431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.620
},
{
"type": "R(meas)",
"value": 0.641
},
{
"type": "R(pim)",
"value": 0.195
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 14.900
},
{
"type": "CC(1/2)",
"value": 0.901
}
]
},
{
"resolution_limits": [2.050,2.010],
"number_observations_unique": 3387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.533
},
{
"type": "R(meas)",
"value": 0.551
},
{
"type": "R(pim)",
"value": 0.164
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 14.900
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [2.090,2.050],
"number_observations_unique": 3416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.457
},
{
"type": "R(meas)",
"value": 0.473
},
{
"type": "R(pim)",
"value": 0.141
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 14.900
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
},
{
"resolution_limits": [2.140,2.090],
"number_observations_unique": 3457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "R(meas)",
"value": 0.380
},
{
"type": "R(pim)",
"value": 0.122
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 14.900
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [2.190,2.140],
"number_observations_unique": 3439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "R(meas)",
"value": 0.316
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 14.900
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.250,2.190],
"number_observations_unique": 3423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "R(meas)",
"value": 0.281
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 14.900
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.320,2.250],
"number_observations_unique": 3443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "R(meas)",
"value": 0.241
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 14.800
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.390,2.320],
"number_observations_unique": 3459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 14.800
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.480,2.390],
"number_observations_unique": 3453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 14.800
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.580,2.480],
"number_observations_unique": 3476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 14.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.700,2.580],
"number_observations_unique": 3494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 14.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.840,2.700],
"number_observations_unique": 3468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 14.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.020,2.840],
"number_observations_unique": 3497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 14.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.250,3.020],
"number_observations_unique": 3504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.580,3.250],
"number_observations_unique": 3541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.090,3.580],
"number_observations_unique": 3531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.160,4.090],
"number_observations_unique": 3563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.000,5.160],
"number_observations_unique": 3709,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}