Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e7f4896e30bcf45d617939d4e7ba92ae",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.600,
"b": 157.487,
"c": 50.618,
"alpha": 90.00,
"beta": 117.06,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.078,1.800],
"number_observations": 421538,
"number_observations_unique": 61214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 16.010
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.505
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.800],
"number_observations": 65890,
"number_observations_unique": 18855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "R(meas)",
"value": 0.321
},
{
"type": "I/SigI",
"value": 3.490
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.495
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [2.040,1.900],
"number_observations": 62430,
"number_observations_unique": 18326,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 5.870
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.407
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [2.200,2.040],
"number_observations": 60578,
"number_observations_unique": 17037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 9.640
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.556
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.410,2.200],
"number_observations": 57327,
"number_observations_unique": 15786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 14.070
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.632
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.690,2.410],
"number_observations": 50264,
"number_observations_unique": 14298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 18.650
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.515
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.110,2.690],
"number_observations": 42183,
"number_observations_unique": 12500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 23.880
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.375
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.800,3.110],
"number_observations": 38877,
"number_observations_unique": 10690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 32.310
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.637
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.350,3.800],
"number_observations": 27855,
"number_observations_unique": 8201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 35.080
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.397
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [45.078,5.350],
"number_observations": 16134,
"number_observations_unique": 4567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 36.530
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.533
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}