Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f28eac5e6790ba9cdedba7f0c8ecdf8f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 28.958,
"b": 36.727,
"c": 113.001,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.5000,2.390],
"number_observations_unique": 5120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.460,2.390],
"number_observations_unique": 406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.520
},
{
"type": "R(meas)",
"value": 0.619
},
{
"type": "R(pim)",
"value": 0.327
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.793
}
]
},
{
"resolution_limits": [2.540,2.460],
"number_observations_unique": 408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.475
},
{
"type": "R(meas)",
"value": 0.557
},
{
"type": "R(pim)",
"value": 0.283
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.713
}
]
},
{
"resolution_limits": [2.630,2.540],
"number_observations_unique": 429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.445
},
{
"type": "R(meas)",
"value": 0.511
},
{
"type": "R(pim)",
"value": 0.246
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.833
}
]
},
{
"resolution_limits": [2.740,2.630],
"number_observations_unique": 389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.359
},
{
"type": "R(meas)",
"value": 0.415
},
{
"type": "R(pim)",
"value": 0.202
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.854
}
]
},
{
"resolution_limits": [2.860,2.740],
"number_observations_unique": 424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "R(meas)",
"value": 0.337
},
{
"type": "R(pim)",
"value": 0.165
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [3.010,2.860],
"number_observations_unique": 409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "R(pim)",
"value": 0.116
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [3.200,3.010],
"number_observations_unique": 428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [3.450,3.200],
"number_observations_unique": 419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [3.790,3.450],
"number_observations_unique": 432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [4.340,3.790],
"number_observations_unique": 441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [5.470,4.340],
"number_observations_unique": 439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [35.000,5.470],
"number_observations_unique": 496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}