Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a9c88cdc882f47cfef0429a30cbf888c",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 157.364,
"b": 157.364,
"c": 113.566,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99999],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.620,3.100],
"number_observations": 1087829,
"number_observations_unique": 25692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 34.750
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 42.341
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [3.290,3.100],
"number_observations": 186855,
"number_observations_unique": 4187,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.772
},
{
"type": "R(meas)",
"value": 1.793
},
{
"type": "I/SigI",
"value": 2.590
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 44.627
},
{
"type": "CC(1/2)",
"value": 0.850
}
]
},
{
"resolution_limits": [3.510,3.290],
"number_observations": 167564,
"number_observations_unique": 3912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.977
},
{
"type": "R(meas)",
"value": 0.989
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 42.833
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [3.790,3.510],
"number_observations": 123366,
"number_observations_unique": 3118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.558
},
{
"type": "R(meas)",
"value": 0.565
},
{
"type": "I/SigI",
"value": 9.990
},
{
"type": "Completeness",
"value": 84.700
},
{
"type": "Redundancy",
"value": 39.566
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [4.150,3.790],
"number_observations": 138561,
"number_observations_unique": 3252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "R(meas)",
"value": 0.286
},
{
"type": "I/SigI",
"value": 19.180
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 42.608
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.640,4.150],
"number_observations": 133239,
"number_observations_unique": 3103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 36.750
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 42.939
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.350,4.640],
"number_observations": 120950,
"number_observations_unique": 2741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 52.240
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 44.126
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.530,5.350],
"number_observations": 101183,
"number_observations_unique": 2358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 59.360
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 42.911
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [9.150,6.530],
"number_observations": 75112,
"number_observations_unique": 1874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 99.540
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 40.081
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [47.620,9.150],
"number_observations": 40999,
"number_observations_unique": 1147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 161.690
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 35.745
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}