Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b781c9d5eb3f9f40917d09ca4fc6e27e",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.852,
"b": 88.852,
"c": 39.579,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.77487],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.736,1.000],
"number_observations": 1116972,
"number_observations_unique": 165697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 11.330
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.060,1.000],
"number_observations": 174818,
"number_observations_unique": 26232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.930
},
{
"type": "R(meas)",
"value": 1.008
},
{
"type": "I/SigI",
"value": 1.470
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "CC(1/2)",
"value": 0.857
}
]
},
{
"resolution_limits": [1.130,1.060],
"number_observations": 171692,
"number_observations_unique": 25167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.434
},
{
"type": "R(meas)",
"value": 0.471
},
{
"type": "I/SigI",
"value": 3.130
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [1.230,1.130],
"number_observations": 151042,
"number_observations_unique": 23331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "R(meas)",
"value": 0.264
},
{
"type": "I/SigI",
"value": 5.290
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [1.340,1.230],
"number_observations": 152672,
"number_observations_unique": 21602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "I/SigI",
"value": 8.310
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [1.500,1.340],
"number_observations": 135248,
"number_observations_unique": 19598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 12.340
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.730,1.500],
"number_observations": 111162,
"number_observations_unique": 17249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 18.320
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.120,1.730],
"number_observations": 102491,
"number_observations_unique": 14683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 25.640
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.990,2.120],
"number_observations": 74545,
"number_observations_unique": 11399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 28.620
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [39.736,2.990],
"number_observations": 43302,
"number_observations_unique": 6436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 30.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}