Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "feb02798e4a76e448ec16af67b1286d0",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.660,
"b": 88.660,
"c": 39.504,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.080,1.150],
"number_observations": 732566,
"number_observations_unique": 108888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 24.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.728
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.150],
"number_observations": 118015,
"number_observations_unique": 17553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.723
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.300,1.220],
"number_observations": 112450,
"number_observations_unique": 16544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 9.950
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.797
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.410,1.300],
"number_observations": 99778,
"number_observations_unique": 15219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 13.740
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.556
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.540,1.410],
"number_observations": 99891,
"number_observations_unique": 14157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 20.450
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.056
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.720,1.540],
"number_observations": 87860,
"number_observations_unique": 12859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 28.890
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.833
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.990,1.720],
"number_observations": 72052,
"number_observations_unique": 11241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 37.530
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.410
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.430,1.990],
"number_observations": 65839,
"number_observations_unique": 9611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 47.140
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.850
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.440,2.430],
"number_observations": 48290,
"number_observations_unique": 7466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 49.740
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.468
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [36.080,3.440],
"number_observations": 28391,
"number_observations_unique": 4238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 52.730
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.699
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}