Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f4ad219f74ad20e33994188b92796932",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 134.303,
"b": 50.882,
"c": 76.528,
"alpha": 90.00,
"beta": 103.94,
"gamma": 90.00
},
"wavelengths": [0.98700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.000,1.500],
"number_observations": 184727,
"number_observations_unique": 67556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 84.300
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.500],
"number_observations_unique": 6342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.801
},
{
"type": "R(meas)",
"value": 0.970
},
{
"type": "R(pim)",
"value": 0.541
},
{
"type": "Completeness",
"value": 79.700
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.525
}
]
},
{
"resolution_limits": [1.620,1.550],
"number_observations_unique": 6255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.584
},
{
"type": "R(meas)",
"value": 0.703
},
{
"type": "R(pim)",
"value": 0.386
},
{
"type": "Completeness",
"value": 78.600
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.699
}
]
},
{
"resolution_limits": [1.690,1.620],
"number_observations_unique": 6300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.442
},
{
"type": "R(meas)",
"value": 0.529
},
{
"type": "R(pim)",
"value": 0.288
},
{
"type": "Completeness",
"value": 79.100
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.827
}
]
},
{
"resolution_limits": [1.780,1.690],
"number_observations_unique": 6293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "R(meas)",
"value": 0.354
},
{
"type": "R(pim)",
"value": 0.193
},
{
"type": "Completeness",
"value": 79.000
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.914
}
]
},
{
"resolution_limits": [1.890,1.780],
"number_observations_unique": 6406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.228
},
{
"type": "R(pim)",
"value": 0.125
},
{
"type": "Completeness",
"value": 80.000
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [2.040,1.890],
"number_observations_unique": 6552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "Completeness",
"value": 82.000
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.240,2.040],
"number_observations_unique": 6903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "Completeness",
"value": 86.100
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.560,2.240],
"number_observations_unique": 7279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.230,2.560],
"number_observations_unique": 7504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [60.000,3.230],
"number_observations_unique": 7722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}