Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0dfe333ed2bb5fe690bd9ded6f22adcb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.20,
"b": 73.42,
"c": 52.41,
"alpha": 90.00,
"beta": 109.28,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.37,1.11],
"number_observations": 412549,
"number_observations_unique": 120644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 9.98
},
{
"type": "Completeness",
"value": 94.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.18,1.11],
"number_observations": 60776,
"number_observations_unique": 18423,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.391
},
{
"type": "R(meas)",
"value": 1.657
},
{
"type": "I/SigI",
"value": 0.77
},
{
"type": "CC(1/2)",
"value": 0.38
}
]
},
{
"resolution_limits": [1.26,1.18],
"number_observations": 61493,
"number_observations_unique": 17964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.957
},
{
"type": "R(meas)",
"value": 1.134
},
{
"type": "I/SigI",
"value": 1.21
},
{
"type": "CC(1/2)",
"value": 0.529
}
]
},
{
"resolution_limits": [1.36,1.26],
"number_observations": 56894,
"number_observations_unique": 16914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.66
},
{
"type": "R(meas)",
"value": 0.784
},
{
"type": "I/SigI",
"value": 1.76
},
{
"type": "CC(1/2)",
"value": 0.684
}
]
},
{
"resolution_limits": [1.49,1.36],
"number_observations": 55913,
"number_observations_unique": 15933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.381
},
{
"type": "R(meas)",
"value": 0.449
},
{
"type": "I/SigI",
"value": 3.20
},
{
"type": "CC(1/2)",
"value": 0.871
}
]
},
{
"resolution_limits": [1.66,1.49],
"number_observations": 48550,
"number_observations_unique": 14366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "R(meas)",
"value": 0.239
},
{
"type": "I/SigI",
"value": 5.76
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [1.92,1.66],
"number_observations": 46250,
"number_observations_unique": 12933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 12.02
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.35,1.92],
"number_observations": 36010,
"number_observations_unique": 10799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 23.77
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.32,2.35],
"number_observations": 30644,
"number_observations_unique": 8603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 38.41
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}