Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aa1726f90a40ff6282853210a4c96744",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.092,
"b": 44.084,
"c": 54.731,
"alpha": 90.00,
"beta": 101.69,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.220],
"number_observations": 416830,
"number_observations_unique": 64468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.260,1.220],
"number_observations_unique": 6072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.619
},
{
"type": "R(meas)",
"value": 0.691
},
{
"type": "R(pim)",
"value": 0.299
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.676
}
]
},
{
"resolution_limits": [1.310,1.260],
"number_observations_unique": 6440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.565
},
{
"type": "R(meas)",
"value": 0.618
},
{
"type": "R(pim)",
"value": 0.246
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.801
}
]
},
{
"resolution_limits": [1.370,1.310],
"number_observations_unique": 6385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.454
},
{
"type": "R(meas)",
"value": 0.494
},
{
"type": "R(pim)",
"value": 0.193
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.882
}
]
},
{
"resolution_limits": [1.450,1.370],
"number_observations_unique": 6464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.338
},
{
"type": "R(meas)",
"value": 0.366
},
{
"type": "R(pim)",
"value": 0.139
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.924
}
]
},
{
"resolution_limits": [1.540,1.450],
"number_observations_unique": 6494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "R(meas)",
"value": 0.273
},
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [1.660,1.540],
"number_observations_unique": 6412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "R(meas)",
"value": 0.204
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [1.820,1.660],
"number_observations_unique": 6531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.090,1.820],
"number_observations_unique": 6449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.630,2.090],
"number_observations_unique": 6558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [50.000,2.630],
"number_observations_unique": 6663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}