Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "85fa2cb52f5674b9cbf9b4cd81e9be3c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.326,
"b": 72.966,
"c": 52.673,
"alpha": 90.00,
"beta": 109.27,
"gamma": 90.00
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.786,1.210],
"number_observations": 350067,
"number_observations_unique": 96832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 13.670
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.615
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.280,1.210],
"number_observations": 39462,
"number_observations_unique": 14290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "R(meas)",
"value": 0.275
},
{
"type": "I/SigI",
"value": 3.620
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "CC(1/2)",
"value": 0.921
}
]
},
{
"resolution_limits": [1.370,1.280],
"number_observations": 56102,
"number_observations_unique": 14909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "R(meas)",
"value": 0.219
},
{
"type": "I/SigI",
"value": 5.590
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [1.480,1.370],
"number_observations": 50925,
"number_observations_unique": 13901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 7.650
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [1.620,1.480],
"number_observations": 48977,
"number_observations_unique": 12816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 10.740
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [1.810,1.620],
"number_observations": 43150,
"number_observations_unique": 11594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 14.520
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.090,1.810],
"number_observations": 39141,
"number_observations_unique": 10218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 21.020
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.560,2.090],
"number_observations": 32984,
"number_observations_unique": 8644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 26.170
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.620,2.560],
"number_observations": 25173,
"number_observations_unique": 6710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 30.540
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [42.786,3.620],
"number_observations": 14153,
"number_observations_unique": 3750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 34.640
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}