Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8dc8ee834803ee9f1e78f06cb04e0022",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.689,
"b": 88.689,
"c": 39.534,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.660,1.050],
"number_observations": 930143,
"number_observations_unique": 142712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 24.890
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.518
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.110,1.050],
"number_observations": 145283,
"number_observations_unique": 22922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.381
},
{
"type": "R(meas)",
"value": 0.416
},
{
"type": "I/SigI",
"value": 4.240
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.338
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [1.190,1.110],
"number_observations": 139752,
"number_observations_unique": 21582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "R(meas)",
"value": 0.241
},
{
"type": "I/SigI",
"value": 7.170
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.475
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [1.290,1.190],
"number_observations": 131105,
"number_observations_unique": 20174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 10.910
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.499
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.410,1.290],
"number_observations": 123198,
"number_observations_unique": 18557,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 15.830
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.639
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.580,1.410],
"number_observations": 111253,
"number_observations_unique": 16784,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 24.870
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.629
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.820,1.580],
"number_observations": 99138,
"number_observations_unique": 14840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 39.310
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.680
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.230,1.820],
"number_observations": 81047,
"number_observations_unique": 12552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 55.530
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.457
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.150,2.230],
"number_observations": 64206,
"number_observations_unique": 9783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 68.880
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.563
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [39.660,3.150],
"number_observations": 35161,
"number_observations_unique": 5518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 75.160
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.372
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}