Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eca05a7b3744921614a19e95f92161f4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.231,
"b": 73.039,
"c": 52.589,
"alpha": 90.00,
"beta": 109.18,
"gamma": 90.00
},
"wavelengths": [0.89440],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.72,1.120],
"number_observations": 456757,
"number_observations_unique": 117435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 17.340
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.889
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.190,1.120],
"number_observations": 36714,
"number_observations_unique": 14452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.437
},
{
"type": "R(meas)",
"value": 0.560
},
{
"type": "I/SigI",
"value": 3.120
},
{
"type": "Completeness",
"value": 72.300
},
{
"type": "CC(1/2)",
"value": 0.786
}
]
},
{
"resolution_limits": [1.270,1.190],
"number_observations": 64629,
"number_observations_unique": 18032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.443
},
{
"type": "R(meas)",
"value": 0.522
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "CC(1/2)",
"value": 0.847
}
]
},
{
"resolution_limits": [1.370,1.270],
"number_observations": 71556,
"number_observations_unique": 17463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.377
},
{
"type": "R(meas)",
"value": 0.433
},
{
"type": "I/SigI",
"value": 7.080
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [1.500,1.370],
"number_observations": 66785,
"number_observations_unique": 16090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "R(meas)",
"value": 0.289
},
{
"type": "I/SigI",
"value": 10.810
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
{
"resolution_limits": [1.680,1.500],
"number_observations": 60852,
"number_observations_unique": 14531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 16.350
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [1.940,1.680],
"number_observations": 54264,
"number_observations_unique": 12839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 25.090
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.370,1.940],
"number_observations": 46223,
"number_observations_unique": 10893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 37.040
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.350,2.370],
"number_observations": 35839,
"number_observations_unique": 8413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 45.280
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [42.72,3.350],
"number_observations": 19895,
"number_observations_unique": 4722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 55.250
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}