Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e909aae41c46e1a57649787437938091",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.202,
"b": 72.978,
"c": 52.357,
"alpha": 90.00,
"beta": 109.17,
"gamma": 90.00
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.360,0.98],
"number_observations": 1167541,
"number_observations_unique": 170022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 13.780
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 6.519
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.04,0.98],
"number_observations": 123769,
"number_observations_unique": 29883,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.992
},
{
"type": "R(meas)",
"value": 2.216
},
{
"type": "I/SigI",
"value": 0.69
},
{
"type": "Completeness",
"value": 0.809
},
{
"type": "Redundancy",
"value": 4.14
},
{
"type": "CC(1/2)",
"value": 0.294
}
]
},
{
"resolution_limits": [1.11,1.04],
"number_observations": 186220,
"number_observations_unique": 28076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.962
},
{
"type": "R(meas)",
"value": 1.047
},
{
"type": "I/SigI",
"value": 1.80
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.63
},
{
"type": "CC(1/2)",
"value": 0.712
}
]
},
{
"resolution_limits": [1.20,1.11],
"number_observations": 176185,
"number_observations_unique": 26159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.466
},
{
"type": "R(meas)",
"value": 0.506
},
{
"type": "I/SigI",
"value": 3.94
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.74
},
{
"type": "CC(1/2)",
"value": 0.915
}
]
},
{
"resolution_limits": [1.31,1.20],
"number_observations": 164567,
"number_observations_unique": 24011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "R(meas)",
"value": 0.315
},
{
"type": "I/SigI",
"value": 6.39
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.85
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [1.47,1.31],
"number_observations": 148341,
"number_observations_unique": 21818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "I/SigI",
"value": 11.17
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.80
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [1.69,1.47],
"number_observations": 127448,
"number_observations_unique": 19247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 20.02
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.62
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.07,1.69],
"number_observations": 109961,
"number_observations_unique": 16259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 34.85
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 6.76
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.93,2.07],
"number_observations": 85203,
"number_observations_unique": 12633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 46.65
},
{
"type": "Completeness",
"value": 0.997
},
{
"type": "Redundancy",
"value": 6.74
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.00,2.93],
"number_observations": 45847,
"number_observations_unique": 7055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 52.50
},
{
"type": "Completeness",
"value": 0.979
},
{
"type": "Redundancy",
"value": 6.50
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}