Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "31e2bc0e51d66262a9f7f75084915492",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 71.434,
"b": 194.955,
"c": 195.202,
"alpha": 90.00,
"beta": 90.22,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.100],
"number_observations": 274007,
"number_observations_unique": 91533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
"refln_shells": [
{
"resolution_limits": [3.150,3.100],
"number_observations_unique": 4756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.670
},
{
"type": "R(meas)",
"value": 0.813
},
{
"type": "R(pim)",
"value": 0.451
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.355
}
]
},
{
"resolution_limits": [3.210,3.150],
"number_observations_unique": 4692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.610
},
{
"type": "R(meas)",
"value": 0.740
},
{
"type": "R(pim)",
"value": 0.410
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.459
}
]
},
{
"resolution_limits": [3.270,3.210],
"number_observations_unique": 4753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.592
},
{
"type": "R(meas)",
"value": 0.715
},
{
"type": "R(pim)",
"value": 0.394
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.522
}
]
},
{
"resolution_limits": [3.340,3.270],
"number_observations_unique": 4622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.500
},
{
"type": "R(meas)",
"value": 0.607
},
{
"type": "R(pim)",
"value": 0.338
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.638
}
]
},
{
"resolution_limits": [3.410,3.340],
"number_observations_unique": 4745,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.432
},
{
"type": "R(meas)",
"value": 0.523
},
{
"type": "R(pim)",
"value": 0.290
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.725
}
]
},
{
"resolution_limits": [3.490,3.410],
"number_observations_unique": 4442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.376
},
{
"type": "R(meas)",
"value": 0.456
},
{
"type": "R(pim)",
"value": 0.253
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.830
}
]
},
{
"resolution_limits": [3.580,3.490],
"number_observations_unique": 3963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.357
},
{
"type": "R(meas)",
"value": 0.439
},
{
"type": "R(pim)",
"value": 0.250
},
{
"type": "Completeness",
"value": 80.700
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.847
}
]
},
{
"resolution_limits": [3.680,3.580],
"number_observations_unique": 3903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "R(meas)",
"value": 0.297
},
{
"type": "R(pim)",
"value": 0.160
},
{
"type": "Completeness",
"value": 80.200
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.880
}
]
},
{
"resolution_limits": [3.780,3.680],
"number_observations_unique": 4199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.196
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "Completeness",
"value": 84.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
{
"resolution_limits": [3.910,3.780],
"number_observations_unique": 4334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "R(meas)",
"value": 0.260
},
{
"type": "R(pim)",
"value": 0.140
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
{
"resolution_limits": [4.040,3.910],
"number_observations_unique": 4227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.202
},
{
"type": "R(pim)",
"value": 0.111
},
{
"type": "Completeness",
"value": 85.800
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [4.210,4.040],
"number_observations_unique": 4553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [4.400,4.210],
"number_observations_unique": 4671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [4.630,4.400],
"number_observations_unique": 4686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [4.920,4.630],
"number_observations_unique": 4731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [5.300,4.920],
"number_observations_unique": 4816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [5.830,5.300],
"number_observations_unique": 4821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [6.670,5.830],
"number_observations_unique": 4857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [8.400,6.670],
"number_observations_unique": 4904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [50.000,8.400],
"number_observations_unique": 4858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}