Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8c712b9e28e43d0e8a99d7e0dc9d9010",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 89.968,
"b": 89.968,
"c": 106.545,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.892,1.670],
"number_observations": 548748,
"number_observations_unique": 110903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 15.760
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.670],
"number_observations": 72894,
"number_observations_unique": 17773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.943
},
{
"type": "R(meas)",
"value": 1.087
},
{
"type": "I/SigI",
"value": 1.260
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "CC(1/2)",
"value": 0.500
}
]
},
{
"resolution_limits": [1.900,1.770],
"number_observations": 76621,
"number_observations_unique": 16840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.510
},
{
"type": "R(meas)",
"value": 0.577
},
{
"type": "I/SigI",
"value": 2.570
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.845
}
]
},
{
"resolution_limits": [2.050,1.900],
"number_observations": 83255,
"number_observations_unique": 15767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "R(meas)",
"value": 0.314
},
{
"type": "I/SigI",
"value": 5.370
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [2.240,2.050],
"number_observations": 75490,
"number_observations_unique": 14451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 9.730
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.510,2.240],
"number_observations": 67933,
"number_observations_unique": 13070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 15.270
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.900,2.510],
"number_observations": 60845,
"number_observations_unique": 11556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 23.520
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.550,2.900],
"number_observations": 51105,
"number_observations_unique": 9729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 37.290
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.010,3.550],
"number_observations": 38610,
"number_observations_unique": 7568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 51.540
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [62.892,5.010],
"number_observations": 21995,
"number_observations_unique": 4149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 56.110
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}