{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "752d326d5ef452c7a948b43d15c96fd1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.304,
"b": 73.124,
"c": 52.767,
"alpha": 90.0,
"beta": 109.4,
"gamma": 90.0
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.145,1.190],
"number_observations": 357999,
"number_observations_unique": 98626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 17.080
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.629
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.260,1.190],
"number_observations": 34062,
"number_observations_unique": 11884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "R(meas)",
"value": 0.337
},
{
"type": "I/SigI",
"value": 3.490
},
{
"type": "Completeness",
"value": 70.900
},
{
"type": "CC(1/2)",
"value": 0.892
}
]
},
{
"resolution_limits": [1.350,1.260],
"number_observations": 56030,
"number_observations_unique": 15494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "R(meas)",
"value": 0.258
},
{
"type": "I/SigI",
"value": 5.230
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [1.460,1.350],
"number_observations": 53071,
"number_observations_unique": 14657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "I/SigI",
"value": 7.540
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [1.600,1.460],
"number_observations": 51519,
"number_observations_unique": 13471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 11.460
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [1.780,1.600],
"number_observations": 45150,
"number_observations_unique": 12192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 16.360
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.060,1.780],
"number_observations": 41615,
"number_observations_unique": 10778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 25.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.520,2.060],
"number_observations": 34851,
"number_observations_unique": 9134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 34.850
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.560,2.520],
"number_observations": 26760,
"number_observations_unique": 7064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 42.740
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [41.145,3.560],
"number_observations": 14941,
"number_observations_unique": 3952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 50.160
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}
|