{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c2f3e76f5a48d48c8c22f3e87543473e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 120.234,
"b": 149.211,
"c": 172.900,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,3.000],
"number_observations": 379814,
"number_observations_unique": 62189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
"refln_shells": [
{
"resolution_limits": [3.110,3.000],
"number_observations_unique": 6142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.875
},
{
"type": "R(meas)",
"value": 0.957
},
{
"type": "R(pim)",
"value": 0.571
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.701
}
]
},
{
"resolution_limits": [3.230,3.110],
"number_observations_unique": 6161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.550
},
{
"type": "R(meas)",
"value": 0.602
},
{
"type": "R(pim)",
"value": 0.382
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.836
}
]
},
{
"resolution_limits": [3.380,3.230],
"number_observations_unique": 6177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "R(meas)",
"value": 0.402
},
{
"type": "R(pim)",
"value": 0.239
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [3.560,3.380],
"number_observations_unique": 6198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "R(meas)",
"value": 0.264
},
{
"type": "R(pim)",
"value": 0.160
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [3.780,3.560],
"number_observations_unique": 6182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "R(pim)",
"value": 0.105
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [4.070,3.780],
"number_observations_unique": 6242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [4.480,4.070],
"number_observations_unique": 6230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.120,4.480],
"number_observations_unique": 6230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.440,5.120],
"number_observations_unique": 6270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [30.000,6.440],
"number_observations_unique": 6357,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}
|