{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e0e58de5009604ffc3d4039d075c3b2c",
"space_group_name": "P 4 21 2",
"unit_cell": {
"a": 182.697,
"b": 182.697,
"c": 79.814,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.310,2.560],
"number_observations": 320073,
"number_observations_unique": 76161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 11.760
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 4.203
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.710,2.560],
"number_observations": 50656,
"number_observations_unique": 12450,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.246
},
{
"type": "R(meas)",
"value": 1.414
},
{
"type": "I/SigI",
"value": 1.070
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 4.069
},
{
"type": "CC(1/2)",
"value": 0.525
}
]
},
{
"resolution_limits": [2.900,2.710],
"number_observations": 49535,
"number_observations_unique": 11802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.759
},
{
"type": "R(meas)",
"value": 0.858
},
{
"type": "I/SigI",
"value": 1.750
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 4.197
},
{
"type": "CC(1/2)",
"value": 0.730
}
]
},
{
"resolution_limits": [3.130,2.900],
"number_observations": 46222,
"number_observations_unique": 10912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "R(meas)",
"value": 0.421
},
{
"type": "I/SigI",
"value": 3.450
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 4.236
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [3.430,3.130],
"number_observations": 42525,
"number_observations_unique": 9989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "I/SigI",
"value": 7.730
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 4.257
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [3.830,3.430],
"number_observations": 38065,
"number_observations_unique": 8952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 14.650
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 4.252
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.420,3.830],
"number_observations": 33171,
"number_observations_unique": 7841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 22.910
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 4.230
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.400,4.420],
"number_observations": 27856,
"number_observations_unique": 6575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 28.040
},
{
"type": "Completeness",
"value": 89.600
},
{
"type": "Redundancy",
"value": 4.237
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [7.590,5.400],
"number_observations": 21277,
"number_observations_unique": 5028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 30.780
},
{
"type": "Completeness",
"value": 88.500
},
{
"type": "Redundancy",
"value": 4.232
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.310,7.590],
"number_observations": 10766,
"number_observations_unique": 2612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 36.990
},
{
"type": "Completeness",
"value": 81.200
},
{
"type": "Redundancy",
"value": 4.122
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}
|