{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c012f403bbfdaee445f5f7171e345ae2",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 79.468,
"b": 79.468,
"c": 37.848,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.110,1.200],
"number_observations": 320914,
"number_observations_unique": 38399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 26.020
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.357
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.300,1.200],
"number_observations": 65996,
"number_observations_unique": 8070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.911
},
{
"type": "R(meas)",
"value": 0.973
},
{
"type": "I/SigI",
"value": 2.440
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.178
},
{
"type": "CC(1/2)",
"value": 0.853
}
]
},
{
"resolution_limits": [1.400,1.300],
"number_observations": 49670,
"number_observations_unique": 5944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "R(meas)",
"value": 0.374
},
{
"type": "I/SigI",
"value": 6.090
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.356
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [1.500,1.400],
"number_observations": 38978,
"number_observations_unique": 4472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "I/SigI",
"value": 11.970
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.716
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.000,1.500],
"number_observations": 95586,
"number_observations_unique": 11339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 28.840
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.430
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.500,2.000],
"number_observations": 35528,
"number_observations_unique": 4101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 57.840
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.663
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.000,2.500],
"number_observations": 14069,
"number_observations_unique": 1835,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 65.350
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.667
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.000,3.000],
"number_observations": 11781,
"number_observations_unique": 1492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 76.330
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.896
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [6.000,4.000],
"number_observations": 6747,
"number_observations_unique": 787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 82.710
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 8.573
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [8.000,6.000],
"number_observations": 1578,
"number_observations_unique": 204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 77.340
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 7.735
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [10.000,8.000],
"number_observations": 525,
"number_observations_unique": 75,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 73.750
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [28.110,10.000],
"number_observations": 456,
"number_observations_unique": 80,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 66.320
},
{
"type": "Completeness",
"value": 88.900
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}
|