{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7d775e7afacd1ee6e04e2e5fe02581fb",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 210.053,
"b": 450.752,
"c": 623.360,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.800],
"number_observations": 7162802,
"number_observations_unique": 1426619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.021
}
]
},
"refln_shells": [
{
"resolution_limits": [2.970,2.800],
"number_observations": 1143505,
"number_observations_unique": 227225,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.395
},
{
"type": "R(meas)",
"value": 1.557
},
{
"type": "I/SigI",
"value": 1.290
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "CC(1/2)",
"value": 0.394
}
]
},
{
"resolution_limits": [3.170,2.970],
"number_observations": 1057067,
"number_observations_unique": 215845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.690
},
{
"type": "R(meas)",
"value": 0.773
},
{
"type": "I/SigI",
"value": 2.530
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.708
}
]
},
{
"resolution_limits": [3.430,3.170],
"number_observations": 1043193,
"number_observations_unique": 201338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.400
},
{
"type": "R(meas)",
"value": 0.444
},
{
"type": "I/SigI",
"value": 4.480
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.886
}
]
},
{
"resolution_limits": [3.750,3.430],
"number_observations": 914909,
"number_observations_unique": 185292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "R(meas)",
"value": 0.289
},
{
"type": "I/SigI",
"value": 6.670
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.944
}
]
},
{
"resolution_limits": [4.190,3.750],
"number_observations": 850443,
"number_observations_unique": 167963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 10.650
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [4.840,4.190],
"number_observations": 751901,
"number_observations_unique": 148576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 15.770
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [5.910,4.840],
"number_observations": 634739,
"number_observations_unique": 125922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 21.720
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [8.300,5.910],
"number_observations": 486309,
"number_observations_unique": 98180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 27.810
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [49.923,8.300],
"number_observations": 280736,
"number_observations_unique": 56278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 50.240
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}
|