Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4acd33e6970367b2c668c607627e503e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.350,
"b": 73.031,
"c": 52.744,
"alpha": 90.00,
"beta": 109.58,
"gamma": 90.00
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.727,1.370],
"number_observations": 257997,
"number_observations_unique": 65656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 26.730
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.929
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.370],
"number_observations": 23606,
"number_observations_unique": 8888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "R(meas)",
"value": 0.291
},
{
"type": "I/SigI",
"value": 4.050
},
{
"type": "Completeness",
"value": 81.000
},
{
"type": "CC(1/2)",
"value": 0.901
}
]
},
{
"resolution_limits": [1.550,1.450],
"number_observations": 38099,
"number_observations_unique": 10156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 7.350
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [1.680,1.550],
"number_observations": 39952,
"number_observations_unique": 9550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 11.890
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [1.840,1.680],
"number_observations": 37040,
"number_observations_unique": 8810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 18.490
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.050,1.840],
"number_observations": 33773,
"number_observations_unique": 7998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 30.490
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.370,2.050],
"number_observations": 29952,
"number_observations_unique": 7064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 42.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.900,2.370],
"number_observations": 25231,
"number_observations_unique": 5951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 51.640
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.090,2.900],
"number_observations": 19462,
"number_observations_unique": 4638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 68.470
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [42.727,4.090],
"number_observations": 10882,
"number_observations_unique": 2601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "R(meas)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 76.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}