Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0b79230dcc916e7e554f282f70389620",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 71.17,
"b": 88.21,
"c": 112.59,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.700,2.350],
"number_observations": 391924,
"number_observations_unique": 30145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 20.560
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 13.001
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.350],
"number_observations": 98826,
"number_observations_unique": 7740,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.807
},
{
"type": "R(meas)",
"value": 0.841
},
{
"type": "I/SigI",
"value": 3.610
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.768
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [3.000,2.600],
"number_observations": 104296,
"number_observations_unique": 7661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.300
},
{
"type": "R(meas)",
"value": 0.312
},
{
"type": "I/SigI",
"value": 8.630
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 13.614
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.000,3.000],
"number_observations": 109803,
"number_observations_unique": 8363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 25.890
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 13.130
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.000,4.000],
"number_observations": 55396,
"number_observations_unique": 4408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 46.080
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.567
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.000,6.000],
"number_observations": 13859,
"number_observations_unique": 1109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 51.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.497
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [10.000,8.000],
"number_observations": 4381,
"number_observations_unique": 401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 55.590
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 10.925
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [12.000,10.000],
"number_observations": 2224,
"number_observations_unique": 188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 58.710
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.830
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [14.000,12.000],
"number_observations": 1170,
"number_observations_unique": 95,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 60.390
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.316
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [20.000,14.000],
"number_observations": 1336,
"number_observations_unique": 113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 59.340
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.823
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [40.000,20.000],
"number_observations": 609,
"number_observations_unique": 62,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 51.750
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.823
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [49.700,40.000],
"number_observations": 24,
"number_observations_unique": 5,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 40.130
},
{
"type": "Completeness",
"value": 41.700
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}